2-(2,2-dimethylpropyl)-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-(2,2-dimethylpropyl)-7-(phenylmethyl)-3H-purin-6-one Openeye Name: 7-benzyl-2-(2,2-dimethylpropyl)-3H-purin-6-one CAS Name: 2-(2,2-dimethylpropyl)-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: 7-benzyl-2-(2,2-dimethylpropyl)-3H-purin-6-one Traditional Name: 7-benzyl-2-neopentyl-3H-purin-6-one Formula: C17H20N4O MolecularWeight: 296.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O/c1-17(2,3)9-13-19-15-14(16(22)20-13)21(11-18-15)10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,19,20,22)