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

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(4-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]-N-(4-pyridylmethyl)acetamide Formula: C23H25ClN6O2S MolecularWeight: 485.0016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=NC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=NC=C4)Cl

InChI

InChI=1S/C23H25ClN6O2S/c1-32-19-4-2-18(3-5-19)29-10-12-30(13-11-29)21-14-20(24)27-23(28-21)33-16-22(31)26-15-17-6-8-25-9-7-17/h2-9,14H,10-13,15-16H2,1H3,(H,26,31)