(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[4-(2,3-dimethylphenyl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazino]methanone Formula: C18H21ClN4OS MolecularWeight: 376.90354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC)C

InChI

InChI=1S/C18H21ClN4OS/c1-12-5-4-6-15(13(12)2)22-7-9-23(10-8-22)17(24)16-14(19)11-20-18(21-16)25-3/h4-6,11H,7-10H2,1-3H3