6-azanyl-2-(2,2-dimethylpropylamino)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(2,2-dimethylpropylamino)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(2,2-dimethylpropylamino)-7H-purin-8-one CAS Name: 6-amino-2-(2,2-dimethylpropylamino)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(2,2-dimethylpropylamino)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(neopentylamino)-7H-purin-8-one Formula: C17H22N6O MolecularWeight: 326.39618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C17H22N6O/c1-17(2,3)10-19-15-21-13(18)12-14(22-15)23(16(24)20-12)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,20,24)(H3,18,19,21,22)