ethyl 4-(5-cyano-2-methyl-1-phenyl-6-sulfanylidene-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-cyano-2-methyl-1-phenyl-6-sulfanylidene-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(5-cyano-2-methyl-1-phenyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-(5-cyano-2-methyl-1-phenyl-6-sulfanylidene-4-pyrimidinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-cyano-2-methyl-1-phenyl-6-sulfanylidenepyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(5-cyano-2-methyl-1-phenyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2S/c1-3-26-19(25)23-11-9-22(10-12-23)17-16(13-20)18(27)24(14(2)21-17)15-7-5-4-6-8-15/h4-8H,3,9-12H2,1-2H3