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

Systemtic Name: ethyl 4-[5-cyano-2-methyl-1-(phenylmethyl)-6-sulfanylidene-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-(1-benzyl-5-cyano-2-methyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-[5-cyano-2-methyl-1-(phenylmethyl)-6-sulfanylidene-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-5-cyano-2-methyl-6-sulfanylidenepyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(1-benzyl-5-cyano-2-methyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2S/c1-3-27-20(26)24-11-9-23(10-12-24)18-17(13-21)19(28)25(15(2)22-18)14-16-7-5-4-6-8-16/h4-8H,3,9-12,14H2,1-2H3