
 MLS000083273

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M  END

>  <Chemical Name>
MLS000083273

>  <PubChem CID>
666914

>  <Formula>
C23H30N6O4

>  <Molecular Weight>
454.531000

>  <IUPAC Name>
9-(3-methoxyphenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CCN4CCOCC4)C5=CC(=CC=C5)OC

>  <Isomeric SMILES>
CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CCN4CCOCC4)C5=CC(=CC=C5)OC

>  <InChI Std. ID>
InChI=1S/C23H30N6O4/c1-16-14-28(17-5-4-6-18(13-17)32-3)22-24-20-19(29(22)15-16)21(30)27(23(31)25(20)2)8-7-26-9-11-33-12-10-26/h4-6,13,16H,7-12,14-15H2,1-3H3

>  <InChI Key>
CVSSLUCDGJDGHX-UHFFFAOYSA-N

