ethyl 4-(4-methoxyphenyl)-2-oxidanylidene-6-(pyridin-2-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-oxidanylidene-6-(pyridin-2-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-oxo-6-(2-pyridylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-oxo-6-[(2-pyridinylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-oxo-6-(pyridin-2-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(4-methoxyphenyl)-6-[(2-pyridylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CSC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CSC3=CC=CC=N3

InChI

InChI=1S/C20H21N3O4S/c1-3-27-19(24)17-15(12-28-16-6-4-5-11-21-16)22-20(25)23-18(17)13-7-9-14(26-2)10-8-13/h4-11,18H,3,12H2,1-2H3,(H2,22,23,25)