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

Systemtic Name: 3-ethyl-5-methyl-4-oxidanylidene-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-ethyl-5-methyl-4-oxo-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-ethyl-5-methyl-4-oxo-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 3-ethyl-5-methyl-4-oxo-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-ethyl-4-keto-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H13N2O3S- MolecularWeight: 313.35102

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C(C1=O)C(=C(S2)C(=O)[O-])C)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NC2=C(C1=O)C(=C(S2)C(=O)[O-])C)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O3S/c1-3-18-13(10-7-5-4-6-8-10)17-14-11(15(18)19)9(2)12(22-14)16(20)21/h4-8H,3H2,1-2H3,(H,20,21)/p-1