9-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-3-methyl-6-oxidanylidene-purin-2-olate

Systemtic Name: 9-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-3-methyl-6-oxidanylidene-purin-2-olate Openeye Name: 9-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]-3-methyl-6-oxo-purin-2-olate CAS Name: 9-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 9-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-methyl-6-oxopurin-2-olate Traditional Name: 9-[2-(2,4-dimethylphenyl)-2-keto-ethyl]-6-keto-3-methyl-purin-2-olate Formula: C16H15N4O3- MolecularWeight: 311.3153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CN2C=NC3=C2N(C(=NC3=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CN2C=NC3=C2N(C(=NC3=O)[O-])C)C

InChI

InChI=1S/C16H16N4O3/c1-9-4-5-11(10(2)6-9)12(21)7-20-8-17-13-14(22)18-16(23)19(3)15(13)20/h4-6,8H,7H2,1-3H3,(H,18,22,23)/p-1