3-[[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide Openeye Name: 3-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide CAS Name: 3-[[[4-chloro-6-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-cyclohexylbenzamide IUPAC Name: 3-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-cyclohexylbenzamide Traditional Name: 3-[[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-cyclohexyl-benzamide Formula: C29H36ClN5OS MolecularWeight: 538.14704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC4CCCCC4)Cl

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC4CCCCC4)Cl

InChI

InChI=1S/C29H36ClN5OS/c1-34(2)16-17-35(20-22-10-5-3-6-11-22)27-19-26(30)32-29(33-27)37-21-23-12-9-13-24(18-23)28(36)31-25-14-7-4-8-15-25/h3,5-6,9-13,18-19,25H,4,7-8,14-17,20-21H2,1-2H3,(H,31,36)