ethyl 4-(5-ethanoyl-2-phenyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-ethanoyl-2-phenyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(5-acetyl-2-phenyl-4-thioxo-1H-pyrimidin-6-yl)piperazine-1-carboxylate CAS Name: 4-(5-acetyl-2-phenyl-4-sulfanylidene-1H-pyrimidin-6-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-acetyl-2-phenyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(5-acetyl-2-phenyl-4-thioxo-1H-pyrimidin-6-yl)piperazine-1-carboxylic acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=S)N=C(N2)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=S)N=C(N2)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C19H22N4O3S/c1-3-26-19(25)23-11-9-22(10-12-23)17-15(13(2)24)18(27)21-16(20-17)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,20,21,27)