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

Systemtic Name: 5-methyl-2-(3-methylphenyl)-3-(3-oxidanidyl-3-oxidanylidene-propyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-2-(m-tolyl)-3-(3-oxido-3-oxo-propyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(3-methylphenyl)-3-(3-oxido-3-oxopropyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-2-(3-methylphenyl)-3-(3-oxido-3-oxopropyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-(3-keto-3-oxido-propyl)-5-methyl-2-(m-tolyl)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H14N2O5S-2 MolecularWeight: 370.37916

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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)N2CCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2CCC(=O)[O-]

InChI

InChI=1S/C18H16N2O5S/c1-9-4-3-5-11(8-9)15-19-16-13(10(2)14(26-16)18(24)25)17(23)20(15)7-6-12(21)22/h3-5,8H,6-7H2,1-2H3,(H,21,22)(H,24,25)/p-2