2-[(4-dimethylaminophenyl)methyl]-9-[hexyl(methyl)amino]-3H-purin-6-one

Systemtic Name: 2-[(4-dimethylaminophenyl)methyl]-9-[hexyl(methyl)amino]-3H-purin-6-one Openeye Name: 2-[(4-dimethylaminophenyl)methyl]-9-[hexyl(methyl)amino]-3H-purin-6-one CAS Name: 2-[(4-dimethylaminophenyl)methyl]-9-[hexyl(methyl)amino]-3H-purin-6-one IUPAC Name: 2-[(4-dimethylaminophenyl)methyl]-9-[hexyl(methyl)amino]-3H-purin-6-one Traditional Name: 2-[4-(dimethylamino)benzyl]-9-[hexyl(methyl)amino]-3H-purin-6-one Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C)N1C=NC2=C1NC(=NC2=O)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCCCN(C)N1C=NC2=C1NC(=NC2=O)CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H30N6O/c1-5-6-7-8-13-26(4)27-15-22-19-20(27)23-18(24-21(19)28)14-16-9-11-17(12-10-16)25(2)3/h9-12,15H,5-8,13-14H2,1-4H3,(H,23,24,28)