4-[6-chloranyl-2-[2-oxidanylidene-2-(2-pyrrolidin-1-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(2-pyrrolidin-1-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-[2-(1-pyrrolidinyl)ethylamino]ethyl]thio]-4-pyrimidinyl]-2-methyl-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(2-pyrrolidinoethylamino)ethyl]thio]pyrimidin-4-yl]-2-methyl-N-phenyl-piperazine-1-carboxamide Formula: C24H32ClN7O2S MolecularWeight: 518.07458

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCC4)Cl

InChI

InChI=1S/C24H32ClN7O2S/c1-18-16-31(13-14-32(18)24(34)27-19-7-3-2-4-8-19)21-15-20(25)28-23(29-21)35-17-22(33)26-9-12-30-10-5-6-11-30/h2-4,7-8,15,18H,5-6,9-14,16-17H2,1H3,(H,26,33)(H,27,34)