2-[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)ethanamide Openeye Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanyl-N-[2-(1-piperidyl)ethyl]acetamide CAS Name: 2-[[4-chloro-6-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]-N-[2-(1-piperidinyl)ethyl]acetamide IUPAC Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)acetamide Traditional Name: 2-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]thio]-N-(2-piperidinoethyl)acetamide Formula: C24H35ClN6OS MolecularWeight: 491.0923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC(=O)NCCN3CCCCC3)Cl

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC(=O)NCCN3CCCCC3)Cl

InChI

InChI=1S/C24H35ClN6OS/c1-29(2)15-16-31(18-20-9-5-3-6-10-20)22-17-21(25)27-24(28-22)33-19-23(32)26-11-14-30-12-7-4-8-13-30/h3,5-6,9-10,17H,4,7-8,11-16,18-19H2,1-2H3,(H,26,32)