4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-N-[4-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-[4-(methylthio)phenyl]piperazine-1-carboxamide Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5OS/c1-4-24-23(18-20-8-6-5-7-9-20)25(28-19(2)27-24)30-14-16-31(17-15-30)26(32)29-21-10-12-22(33-3)13-11-21/h5-13H,4,14-18H2,1-3H3,(H,29,32)