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2-[(3,4-dimethoxyphenyl)methyl]-9-[hexyl(methyl)amino]-3H-purin-6-one
2-[(3,4-dimethoxyphenyl)methyl]-9-[hexyl(methyl)amino]-3H-purin-6-one
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCN(C)N1C=NC2=C1NC(=NC2=O)CC3=CC(=C(C=C3)OC)OC
Isomeric SMILES
CCCCCCN(C)N1C=NC2=C1NC(=NC2=O)CC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H29N5O3/c1-5-6-7-8-11-25(2)26-14-22-19-20(26)23-18(24-21(19)27)13-15-9-10-16(28-3)17(12-15)29-4/h9-10,12,14H,5-8,11,13H2,1-4H3,(H,23,24,27)
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