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

Systemtic Name: 3-[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide Openeye Name: 3-[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide CAS Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-methyl-2-pyrimidinyl]thio]methyl]-N-ethylbenzamide IUPAC Name: 3-[[4-[cyclohexyl(methyl)amino]-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-ethylbenzamide Traditional Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-benzamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4OS/c1-4-23-21(27)18-10-8-9-17(14-18)15-28-22-24-16(2)13-20(25-22)26(3)19-11-6-5-7-12-19/h8-10,13-14,19H,4-7,11-12,15H2,1-3H3,(H,23,27)