cyclohexyl 5-methyl-4-oxidanylidene-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 5-methyl-4-oxidanylidene-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-oxo-2-(3-pyridyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-(3-pyridinyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-oxo-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(3-pyridyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C3=CN=CC=C3)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C3=CN=CC=C3)C(=O)OC4CCCCC4

InChI

InChI=1S/C19H19N3O3S/c1-11-14-17(23)21-16(12-6-5-9-20-10-12)22-18(14)26-15(11)19(24)25-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,21,22,23)