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

Systemtic Name: 6-azanyl-2-(butylamino)-9-[(4-phenylphenyl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[(4-phenylphenyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[(4-phenylphenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(4-phenylphenyl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-(4-phenylbenzyl)-7H-purin-8-one Formula: C22H24N6O MolecularWeight: 388.46556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O/c1-2-3-13-24-21-26-19(23)18-20(27-21)28(22(29)25-18)14-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H,25,29)(H3,23,24,26,27)