5-methyl-2-(3-methylphenyl)-3-(2-oxidanidyl-2-oxidanylidene-ethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-2-(3-methylphenyl)-3-(2-oxidanidyl-2-oxidanylidene-ethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-2-(m-tolyl)-3-(2-oxido-2-oxo-ethyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(3-methylphenyl)-3-(2-oxido-2-oxoethyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-2-(3-methylphenyl)-3-(2-oxido-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-(2-keto-2-oxido-ethyl)-5-methyl-2-(m-tolyl)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H12N2O5S-2 MolecularWeight: 356.35258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2CC(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2CC(=O)[O-]

InChI

InChI=1S/C17H14N2O5S/c1-8-4-3-5-10(6-8)14-18-15-12(9(2)13(25-15)17(23)24)16(22)19(14)7-11(20)21/h3-6H,7H2,1-2H3,(H,20,21)(H,23,24)/p-2