ethyl 2-oxidanylidene-4-phenyl-6-(propylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-4-phenyl-6-(propylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-4-phenyl-6-(propylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-4-phenyl-6-[(propylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-phenyl-6-(propylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-phenyl-6-[(propylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCSCC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C17H22N2O3S/c1-3-10-23-11-13-14(16(20)22-4-2)15(19-17(21)18-13)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3,(H2,18,19,21)