ethyl 6-[bis(propylsulfanyl)methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[bis(propylsulfanyl)methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[bis(propylsulfanyl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[bis(propylthio)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[bis(propylsulfanyl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[bis(propylthio)methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N2O3S2 MolecularWeight: 408.57792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC(C1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCC)SCCC

Isomeric SMILES

CCCSC(C1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCC)SCCC

InChI

InChI=1S/C20H28N2O3S2/c1-4-12-26-19(27-13-5-2)17-15(18(23)25-6-3)16(21-20(24)22-17)14-10-8-7-9-11-14/h7-11,16,19H,4-6,12-13H2,1-3H3,(H2,21,22,24)