[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)methanone

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)methanone Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)methanone CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazinyl]-[2-(methylthio)-4-phenyl-5-pyrimidinyl]methanone IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methylsulfanyl-4-phenylpyrimidin-5-yl)methanone Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazino]-[2-(methylthio)-4-phenyl-pyrimidin-5-yl]methanone Formula: C23H23ClN4OS MolecularWeight: 438.97292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CN=C(N=C3C4=CC=CC=C4)SC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CN=C(N=C3C4=CC=CC=C4)SC

InChI

InChI=1S/C23H23ClN4OS/c1-16-8-9-18(24)14-20(16)27-10-12-28(13-11-27)22(29)19-15-25-23(30-2)26-21(19)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3