
 BAS 04995413

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M  END

>  <Chemical Name>
BAS 04995413

>  <PubChem CID>
3151316

>  <Formula>
C23H27N5O4

>  <Molecular Weight>
437.500000

>  <IUPAC Name>
2-imino-10-methyl-5-oxo-N,1-bis(oxolan-2-ylmethyl)dipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)C(=O)NCC5CCCO5

>  <Isomeric SMILES>
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)C(=O)NCC5CCCO5

>  <InChI Std. ID>
InChI=1S/C23H27N5O4/c1-14-5-2-8-27-20(14)26-21-18(23(27)30)11-17(22(29)25-12-15-6-3-9-31-15)19(24)28(21)13-16-7-4-10-32-16/h2,5,8,11,15-16,24H,3-4,6-7,9-10,12-13H2,1H3,(H,25,29)

>  <InChI Key>
AAHPEOJUDRVGDE-UHFFFAOYSA-N

