4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-N-[4-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-N-[4-(methylthio)phenyl]piperazine-1-carboxamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC)C(C)C

InChI

InChI=1S/C21H29N5OS/c1-14(2)19-15(3)22-16(4)23-20(19)25-10-12-26(13-11-25)21(27)24-17-6-8-18(28-5)9-7-17/h6-9,14H,10-13H2,1-5H3,(H,24,27)