[4-(4-chlorophenyl)piperazin-1-yl]-(2-methylsulfanyl-4-propyl-pyrimidin-5-yl)methanone

Systemtic Name: [4-(4-chlorophenyl)piperazin-1-yl]-(2-methylsulfanyl-4-propyl-pyrimidin-5-yl)methanone Openeye Name: [4-(4-chlorophenyl)piperazin-1-yl]-(2-methylsulfanyl-4-propyl-pyrimidin-5-yl)methanone CAS Name: [4-(4-chlorophenyl)-1-piperazinyl]-[2-(methylthio)-4-propyl-5-pyrimidinyl]methanone IUPAC Name: [4-(4-chlorophenyl)piperazin-1-yl]-(2-methylsulfanyl-4-propylpyrimidin-5-yl)methanone Traditional Name: [4-(4-chlorophenyl)piperazino]-[2-(methylthio)-4-propyl-pyrimidin-5-yl]methanone Formula: C19H23ClN4OS MolecularWeight: 390.93012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)SC

InChI

InChI=1S/C19H23ClN4OS/c1-3-4-17-16(13-21-19(22-17)26-2)18(25)24-11-9-23(10-12-24)15-7-5-14(20)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3