2-[4-chloranyl-6-[4-(3-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(3-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(3-methoxybenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[(3-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-m-anisoyl-3-methyl-piperazino)pyrimidin-2-yl]thio]-N-(2-pyrrolidinoethyl)acetamide Formula: C25H33ClN6O3S MolecularWeight: 533.08592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCC4)Cl

InChI

InChI=1S/C25H33ClN6O3S/c1-18-16-31(12-13-32(18)24(34)19-6-5-7-20(14-19)35-2)22-15-21(26)28-25(29-22)36-17-23(33)27-8-11-30-9-3-4-10-30/h5-7,14-15,18H,3-4,8-13,16-17H2,1-2H3,(H,27,33)