methyl 4-[2-(1H-indol-3-yl)ethylamino]-6-oxidanylidene-1,3-diphenyl-2-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[2-(1H-indol-3-yl)ethylamino]-6-oxidanylidene-1,3-diphenyl-2-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(1H-indol-3-yl)ethylamino]-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate CAS Name: 4-[2-(1H-indol-3-yl)ethylamino]-6-oxo-1,3-diphenyl-2-sulfanylidene-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(1H-indol-3-yl)ethylamino]-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 4-[2-(1H-indol-3-yl)ethylamino]-6-keto-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylic acid methyl ester Formula: C28H24N4O3S MolecularWeight: 496.58016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)NCCC4=CNC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)NCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H24N4O3S/c1-35-27(34)24-25(29-17-16-19-18-30-23-15-9-8-14-22(19)23)31(20-10-4-2-5-11-20)28(36)32(26(24)33)21-12-6-3-7-13-21/h2-15,18,29-30H,16-17H2,1H3