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

Systemtic Name: 7-(3-methylbutyl)-6-oxidanylidene-3-(phenylmethyl)purin-2-olate Openeye Name: 3-benzyl-7-isopentyl-6-oxo-purin-2-olate CAS Name: 7-(3-methylbutyl)-6-oxo-3-(phenylmethyl)-2-purinolate IUPAC Name: 3-benzyl-7-(3-methylbutyl)-6-oxopurin-2-olate Traditional Name: 3-benzyl-7-isoamyl-6-keto-purin-2-olate Formula: C17H19N4O2- MolecularWeight: 311.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)N=C(N2CC3=CC=CC=C3)[O-]

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N=C(N2CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H20N4O2/c1-12(2)8-9-20-11-18-15-14(20)16(22)19-17(23)21(15)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,19,22,23)/p-1