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

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C3=CN=CC=C3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C3=CN=CC=C3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S/c1-13-16-19(25)23-18(15-8-5-10-22-12-15)24-20(16)28-17(13)21(26)27-11-9-14-6-3-2-4-7-14/h2-8,10,12H,9,11H2,1H3,(H,23,24,25)