N-(4-dimethylaminophenyl)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(pyridin-3-ylmethyl)amino]cyclohexane-1-carboxamide

Systemtic Name: N-(4-dimethylaminophenyl)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(pyridin-3-ylmethyl)amino]cyclohexane-1-carboxamide Openeye Name: N-(4-dimethylaminophenyl)-1-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(3-pyridylmethyl)amino]cyclohexanecarboxamide CAS Name: N-(4-dimethylaminophenyl)-1-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-(3-pyridinylmethyl)amino]-1-cyclohexanecarboxamide IUPAC Name: N-(4-dimethylaminophenyl)-1-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(pyridin-3-ylmethyl)amino]cyclohexane-1-carboxamide Traditional Name: N-(4-dimethylaminophenyl)-1-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-(3-pyridylmethyl)amino]cyclohexanecarboxamide Formula: C29H36N6O2S MolecularWeight: 532.70014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CN=CC=C2)C3(CCCCC3)C(=O)NC4=CC=C(C=C4)N(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CN=CC=C2)C3(CCCCC3)C(=O)NC4=CC=C(C=C4)N(C)C)C

InChI

InChI=1S/C29H36N6O2S/c1-21-17-22(2)32-28(31-21)38-20-26(36)35(19-23-9-8-16-30-18-23)29(14-6-5-7-15-29)27(37)33-24-10-12-25(13-11-24)34(3)4/h8-13,16-18H,5-7,14-15,19-20H2,1-4H3,(H,33,37)