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

Systemtic Name: 5-methyl-3-(3-oxidanidyl-3-oxidanylidene-propyl)-4-oxidanylidene-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-3-(3-oxido-3-oxo-propyl)-4-oxo-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-(3-oxido-3-oxopropyl)-4-oxo-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-3-(3-oxido-3-oxopropyl)-4-oxo-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-(3-keto-3-oxido-propyl)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H12N2O5S-2 MolecularWeight: 356.35258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C3=CC=CC=C3)CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C3=CC=CC=C3)CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H14N2O5S/c1-9-12-15(25-13(9)17(23)24)18-14(10-5-3-2-4-6-10)19(16(12)22)8-7-11(20)21/h2-6H,7-8H2,1H3,(H,20,21)(H,23,24)/p-2