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

Systemtic Name: 4-[[4-chloranyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide Openeye Name: 4-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide CAS Name: 4-[[[4-chloro-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]-N-cyclohexylbenzamide IUPAC Name: 4-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexylbenzamide Traditional Name: 4-[[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]-N-cyclohexyl-benzamide Formula: C22H29ClN4OS MolecularWeight: 433.00986

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CCCCC3)Cl

Isomeric SMILES

CCCN(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CCCCC3)Cl

InChI

InChI=1S/C22H29ClN4OS/c1-3-13-27(2)20-14-19(23)25-22(26-20)29-15-16-9-11-17(12-10-16)21(28)24-18-7-5-4-6-8-18/h9-12,14,18H,3-8,13,15H2,1-2H3,(H,24,28)