4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-N-[4-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(5-isopropyl-6-methyl-2-phenyl-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:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)SC)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)SC)C(C)C

InChI

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