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

Systemtic Name: 3-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide Openeye Name: 3-[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide CAS Name: 3-[[[4-chloro-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-cyclohexylbenzamide IUPAC Name: 3-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-cyclohexylbenzamide Traditional Name: 3-[[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-cyclohexyl-benzamide Formula: C26H29ClN4OS MolecularWeight: 481.05266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN4OS/c1-31(17-19-9-4-2-5-10-19)24-16-23(27)29-26(30-24)33-18-20-11-8-12-21(15-20)25(32)28-22-13-6-3-7-14-22/h2,4-5,8-12,15-16,22H,3,6-7,13-14,17-18H2,1H3,(H,28,32)