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

Systemtic Name: 2-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxidanylidene-hexan-2-yl]sulfanyl-6-ethyl-3-methyl-pyrimidin-4-one Openeye Name: 2-[1-[4-(3-chlorophenyl)piperazine-1-carbonyl]pentylsulfanyl]-6-ethyl-3-methyl-pyrimidin-4-one CAS Name: 2-[[1-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxohexan-2-yl]thio]-6-ethyl-3-methyl-4-pyrimidinone IUPAC Name: 2-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxohexan-2-yl]sulfanyl-6-ethyl-3-methylpyrimidin-4-one Traditional Name: 2-[1-[4-(3-chlorophenyl)piperazine-1-carbonyl]pentylthio]-6-ethyl-3-methyl-pyrimidin-4-one Formula: C23H31ClN4O2S MolecularWeight: 463.03584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)SC3=NC(=CC(=O)N3C)CC

Isomeric SMILES

CCCCC(C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)SC3=NC(=CC(=O)N3C)CC

InChI

InChI=1S/C23H31ClN4O2S/c1-4-6-10-20(31-23-25-18(5-2)16-21(29)26(23)3)22(30)28-13-11-27(12-14-28)19-9-7-8-17(24)15-19/h7-9,15-16,20H,4-6,10-14H2,1-3H3