
 N-cyclohexyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

 45 47  0  0  0  0  0  0  0  0999 V2000
    0.7261    0.8789   -0.1277 C   0  0  0  0  0
    2.1826    0.8377   -0.0712 N   0  0  0  0  0
    2.8422   -0.4074    0.1076 C   0  0  0  0  0
    4.2359   -0.4516    0.1373 C   0  0  0  0  0
    4.9252   -1.6628    0.3086 C   0  0  0  0  0
    4.2037   -2.8468    0.4496 C   0  0  0  0  0
    2.8096   -2.8247    0.4405 C   0  0  0  0  0
    2.1353   -1.6123    0.2618 C   0  0  0  0  0
    5.0532   -4.3698    0.7753 S   0  0  0  0  0
    6.3680   -4.0392    1.2779 O   0  0  0  0  0
    4.1534   -5.2296    1.5094 O   0  0  0  0  0
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    4.5193   -5.8019   -2.9372 C   0  0  0  0  0
    5.7878   -6.5483   -3.3597 C   0  0  0  0  0
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    4.9966    0.7990   -0.0013 C   0  0  0  0  0
    6.2249    0.7582   -0.0090 O   0  0  0  0  0
    4.2622    1.9693   -0.1236 N   0  0  0  0  0
    2.8772    2.0391   -0.1954 C   0  0  0  0  0
    2.2900    3.1101   -0.3646 O   0  0  0  0  0
    5.0282    3.1970   -0.2420 C   0  0  0  0  0
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    3.6603   -6.2665   -3.4387 H   0  0  0  0  0
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    5.5991    3.1649   -1.1759 H   0  0  0  0  0
    5.7354    3.2624    0.5917 H   0  0  0  0  0
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M  END

>  <Chemical Name>
N-cyclohexyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

>  <PubChem CID>
1517312

>  <Formula>
C16H21N3O4S

>  <Molecular Weight>
351.421000

>  <IUPAC Name>
N-cyclohexyl-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C2=C(C=C(C=C2)S(=O)(=O)NC3CCCCC3)C(=O)N(C1=O)C

>  <Isomeric SMILES>
CN1C2=C(C=C(C=C2)S(=O)(=O)NC3CCCCC3)C(=O)N(C1=O)C

>  <InChI Std. ID>
InChI=1S/C16H21N3O4S/c1-18-14-9-8-12(10-13(14)15(20)19(2)16(18)21)24(22,23)17-11-6-4-3-5-7-11/h8-11,17H,3-7H2,1-2H3

>  <InChI Key>
BCHUXMOZNRHTEC-UHFFFAOYSA-N

