3-(4-chlorophenyl)sulfanyl-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 3-[(4-chlorophenyl)thio]-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(4-chlorophenyl)thio]-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]propan-1-one Formula: C21H27ClN4OS MolecularWeight: 418.98328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4OS/c1-15(2)21-23-16(3)14-19(24-21)25-9-11-26(12-10-25)20(27)8-13-28-18-6-4-17(22)5-7-18/h4-7,14-15H,8-13H2,1-3H3