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

Systemtic Name: 9-[(2R)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-6-oxidanylidene-purin-2-olate Openeye Name: 9-[(1R)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]-3-methyl-6-oxo-purin-2-olate CAS Name: 9-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 9-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methyl-6-oxopurin-2-olate Traditional Name: 9-[(1R)-2-(4-chlorophenyl)-2-keto-1-methyl-ethyl]-6-keto-3-methyl-purin-2-olate Formula: C15H12ClN4O3- MolecularWeight: 331.73378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN4O3/c1-8(12(21)9-3-5-10(16)6-4-9)20-7-17-11-13(22)18-15(23)19(2)14(11)20/h3-8H,1-2H3,(H,18,22,23)/p-1/t8-/m1/s1