ethyl 4-oxidanylidene-1,3-diphenyl-6-(3-piperidin-1-ylpropylsulfanyl)-2-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-1,3-diphenyl-6-(3-piperidin-1-ylpropylsulfanyl)-2-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 4-oxo-1,3-diphenyl-6-[3-(1-piperidyl)propylsulfanyl]-2-thioxo-pyrimidine-5-carboxylate CAS Name: 4-oxo-1,3-diphenyl-6-[3-(1-piperidinyl)propylthio]-2-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-1,3-diphenyl-6-(3-piperidin-1-ylpropylsulfanyl)-2-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 4-keto-1,3-diphenyl-6-(3-piperidinopropylthio)-2-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H31N3O3S2 MolecularWeight: 509.68334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCCN4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCCN4CCCCC4

InChI

InChI=1S/C27H31N3O3S2/c1-2-33-26(32)23-24(31)29(21-13-6-3-7-14-21)27(34)30(22-15-8-4-9-16-22)25(23)35-20-12-19-28-17-10-5-11-18-28/h3-4,6-9,13-16H,2,5,10-12,17-20H2,1H3