6-azanyl-2-(butylamino)-9-[(4-phenylmethoxyphenyl)methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[(4-phenylmethoxyphenyl)methyl]-7H-purin-8-one Openeye Name: 6-amino-9-[(4-benzyloxyphenyl)methyl]-2-(butylamino)-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[(4-phenylmethoxyphenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(4-phenylmethoxyphenyl)methyl]-7H-purin-8-one Traditional Name: 6-amino-9-(4-benzoxybenzyl)-2-(butylamino)-7H-purin-8-one Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H26N6O2/c1-2-3-13-25-22-27-20(24)19-21(28-22)29(23(30)26-19)14-16-9-11-18(12-10-16)31-15-17-7-5-4-6-8-17/h4-12H,2-3,13-15H2,1H3,(H,26,30)(H3,24,25,27,28)