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

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-[4-(3-chlorobenzyl)piperazino]ethanone Formula: C18H22ClN5OS MolecularWeight: 391.91818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)N

InChI

InChI=1S/C18H22ClN5OS/c1-13-9-16(20)22-18(21-13)26-12-17(25)24-7-5-23(6-8-24)11-14-3-2-4-15(19)10-14/h2-4,9-10H,5-8,11-12H2,1H3,(H2,20,21,22)