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

Systemtic Name: ethyl 4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6-oxidanylidene-1,3-diphenyl-2-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-amino-2-oxo-ethyl)sulfanyl-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate CAS Name: 4-[(2-amino-2-oxoethyl)thio]-6-oxo-1,3-diphenyl-2-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 4-[(2-amino-2-keto-ethyl)thio]-6-keto-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S2/c1-2-28-20(27)17-18(26)23(14-9-5-3-6-10-14)21(29)24(15-11-7-4-8-12-15)19(17)30-13-16(22)25/h3-12H,2,13H2,1H3,(H2,22,25)