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

Systemtic Name: 4-[[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 4-[[[4-chloro-6-[cyclohexyl(methyl)amino]-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 4-[[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C22H27ClN4OS MolecularWeight: 430.99398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NC4CC4)Cl

Isomeric SMILES

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NC4CC4)Cl

InChI

InChI=1S/C22H27ClN4OS/c1-27(18-5-3-2-4-6-18)20-13-19(23)25-22(26-20)29-14-15-7-9-16(10-8-15)21(28)24-17-11-12-17/h7-10,13,17-18H,2-6,11-12,14H2,1H3,(H,24,28)