ethyl 6-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 6-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 6-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]nicotinic acid ethyl ester Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C17H17N3O3S2/c1-4-23-17(22)11-5-6-13(18-7-11)24-8-12-19-15(21)14-9(2)10(3)25-16(14)20-12/h5-7H,4,8H2,1-3H3,(H,19,20,21)