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

Systemtic Name: 3-[[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide Openeye Name: 3-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide CAS Name: 3-[[[4-chloro-6-[cyclohexyl(methyl)amino]-2-pyrimidinyl]thio]methyl]-N-propylbenzamide IUPAC Name: 3-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-propylbenzamide Traditional Name: 3-[[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-propyl-benzamide Formula: C22H29ClN4OS MolecularWeight: 433.00986

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(C)C3CCCCC3

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(C)C3CCCCC3

InChI

InChI=1S/C22H29ClN4OS/c1-3-12-24-21(28)17-9-7-8-16(13-17)15-29-22-25-19(23)14-20(26-22)27(2)18-10-5-4-6-11-18/h7-9,13-14,18H,3-6,10-12,15H2,1-2H3,(H,24,28)