[5-chloranyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [5-chloranyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: (2-benzylsulfanyl-5-chloro-pyrimidin-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [5-chloro-2-(phenylmethylthio)-4-pyrimidinyl]-[4-(4-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: (2-benzylsulfanyl-5-chloropyrimidin-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [2-(benzylthio)-5-chloro-pyrimidin-4-yl]-[4-(4-methoxyphenyl)piperazino]methanone Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C23H23ClN4O2S/c1-30-19-9-7-18(8-10-19)27-11-13-28(14-12-27)22(29)21-20(24)15-25-23(26-21)31-16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3