6-azanyl-2-(butylamino)-9-[(3-methylphenyl)methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[(3-methylphenyl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-(m-tolylmethyl)-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[(3-methylphenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(3-methylphenyl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-(3-methylbenzyl)-7H-purin-8-one Formula: C17H22N6O MolecularWeight: 326.39618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O/c1-3-4-8-19-16-21-14(18)13-15(22-16)23(17(24)20-13)10-12-7-5-6-11(2)9-12/h5-7,9H,3-4,8,10H2,1-2H3,(H,20,24)(H3,18,19,21,22)