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

Systemtic Name: 3-[[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(4-pyridylmethyl)benzamide CAS Name: 3-[[[4-chloro-6-[cyclohexyl(methyl)amino]-2-pyrimidinyl]thio]methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 3-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 3-[[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-(4-pyridylmethyl)benzamide Formula: C25H28ClN5OS MolecularWeight: 482.04072

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCC4=CC=NC=C4)Cl

Isomeric SMILES

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCC4=CC=NC=C4)Cl

InChI

InChI=1S/C25H28ClN5OS/c1-31(21-8-3-2-4-9-21)23-15-22(26)29-25(30-23)33-17-19-6-5-7-20(14-19)24(32)28-16-18-10-12-27-13-11-18/h5-7,10-15,21H,2-4,8-9,16-17H2,1H3,(H,28,32)