4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

Systemtic Name: 4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide Openeye Name: 4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide CAS Name: 4-[[[4-chloro-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-[2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide Traditional Name: 4-[[[4-chloro-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(2-pyrrolidinoethyl)benzamide Formula: C23H31ClN6OS MolecularWeight: 475.04984

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCN4CCCC4)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCN4CCCC4)Cl

InChI

InChI=1S/C23H31ClN6OS/c1-28-12-14-30(15-13-28)21-16-20(24)26-23(27-21)32-17-18-4-6-19(7-5-18)22(31)25-8-11-29-9-2-3-10-29/h4-7,16H,2-3,8-15,17H2,1H3,(H,25,31)