5-methyl-4-oxidanylidene-3-phenacyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-4-oxidanylidene-3-phenacyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-oxo-3-phenacyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-phenacyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-oxo-3-phenacylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-phenacyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H11N2O4S- MolecularWeight: 327.33454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4S/c1-9-12-14(23-13(9)16(21)22)17-8-18(15(12)20)7-11(19)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,21,22)/p-1