3-methyl-9-[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]-6-oxidanylidene-purin-2-olate

Systemtic Name: 3-methyl-9-[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]-6-oxidanylidene-purin-2-olate Openeye Name: 3-methyl-9-[(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl]-6-oxo-purin-2-olate CAS Name: 3-methyl-9-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]-6-oxo-2-purinolate IUPAC Name: 3-methyl-9-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]-6-oxopurin-2-olate Traditional Name: 6-keto-9-[(1R)-2-keto-1-methyl-2-(p-tolyl)ethyl]-3-methyl-purin-2-olate Formula: C16H15N4O3- MolecularWeight: 311.3153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)N2C=NC3=C2N(C(=NC3=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@@H](C)N2C=NC3=C2N(C(=NC3=O)[O-])C

InChI

InChI=1S/C16H16N4O3/c1-9-4-6-11(7-5-9)13(21)10(2)20-8-17-12-14(22)18-16(23)19(3)15(12)20/h4-8,10H,1-3H3,(H,18,22,23)/p-1/t10-/m1/s1