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

Systemtic Name: 3-[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-methyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide CAS Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-ethyl-2-pyrimidinyl]thio]methyl]-N-methyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[[4-[cyclohexyl(methyl)amino]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-methylbenzamide Traditional Name: N-benzyl-3-[[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-methyl-benzamide Formula: C29H36N4OS MolecularWeight: 488.68734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)N(C)C4CCCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)N(C)C4CCCCC4

InChI

InChI=1S/C29H36N4OS/c1-4-25-19-27(33(3)26-16-9-6-10-17-26)31-29(30-25)35-21-23-14-11-15-24(18-23)28(34)32(2)20-22-12-7-5-8-13-22/h5,7-8,11-15,18-19,26H,4,6,9-10,16-17,20-21H2,1-3H3