2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C25H28ClN5O2S MolecularWeight: 498.04012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H28ClN5O2S/c1-33-21-9-7-20(8-10-21)30-13-15-31(16-14-30)23-17-22(26)28-25(29-23)34-18-24(32)27-12-11-19-5-3-2-4-6-19/h2-10,17H,11-16,18H2,1H3,(H,27,32)