7-(2-methylpropyl)-6-oxidanylidene-3-(phenylmethyl)purin-2-olate

Systemtic Name: 7-(2-methylpropyl)-6-oxidanylidene-3-(phenylmethyl)purin-2-olate Openeye Name: 3-benzyl-7-isobutyl-6-oxo-purin-2-olate CAS Name: 7-(2-methylpropyl)-6-oxo-3-(phenylmethyl)-2-purinolate IUPAC Name: 3-benzyl-7-(2-methylpropyl)-6-oxopurin-2-olate Traditional Name: 3-benzyl-7-isobutyl-6-keto-purin-2-olate Formula: C16H17N4O2- MolecularWeight: 297.33178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N=C(N2CC3=CC=CC=C3)[O-]

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N=C(N2CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H18N4O2/c1-11(2)8-19-10-17-14-13(19)15(21)18-16(22)20(14)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,21,22)/p-1