5-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-N-(1-oxidanylidene-3-phenyl-propan-2-yl)pyrimidine-4-carboxamide

Systemtic Name: 5-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-N-(1-oxidanylidene-3-phenyl-propan-2-yl)pyrimidine-4-carboxamide Openeye Name: N-(1-benzyl-2-oxo-ethyl)-5-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]pyrimidine-4-carboxamide CAS Name: 5-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-N-(1-oxo-3-phenylpropan-2-yl)-4-pyrimidinecarboxamide IUPAC Name: 5-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-N-(1-oxo-3-phenylpropan-2-yl)pyrimidine-4-carboxamide Traditional Name: N-(1-benzyl-2-keto-ethyl)-5-[4-[4-(methylthio)benzyl]piperazino]pyrimidine-4-carboxamide Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)C3=CN=CN=C3C(=O)NC(CC4=CC=CC=C4)C=O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)C3=CN=CN=C3C(=O)NC(CC4=CC=CC=C4)C=O

InChI

InChI=1S/C26H29N5O2S/c1-34-23-9-7-21(8-10-23)17-30-11-13-31(14-12-30)24-16-27-19-28-25(24)26(33)29-22(18-32)15-20-5-3-2-4-6-20/h2-10,16,18-19,22H,11-15,17H2,1H3,(H,29,33)