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

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]-N-(2-pyrrolidinoethyl)acetamide Formula: C23H31ClN6O2S MolecularWeight: 491.04924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCC4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCC4)Cl

InChI

InChI=1S/C23H31ClN6O2S/c1-32-19-6-4-18(5-7-19)29-12-14-30(15-13-29)21-16-20(24)26-23(27-21)33-17-22(31)25-8-11-28-9-2-3-10-28/h4-7,16H,2-3,8-15,17H2,1H3,(H,25,31)