ethyl 4-[5-cyano-1-(phenylmethyl)-6-sulfanylidene-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-cyano-1-(phenylmethyl)-6-sulfanylidene-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-(1-benzyl-5-cyano-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-[5-cyano-1-(phenylmethyl)-6-sulfanylidene-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-5-cyano-6-sulfanylidenepyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(1-benzyl-5-cyano-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)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=S)N(C=N2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H21N5O2S/c1-2-26-19(25)23-10-8-22(9-11-23)17-16(12-20)18(27)24(14-21-17)13-15-6-4-3-5-7-15/h3-7,14H,2,8-11,13H2,1H3