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

Systemtic Name: 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide Openeye Name: 1-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(3-pyridylmethyl)amino]-N-(4-methoxyphenyl)cyclopentanecarboxamide CAS Name: 1-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-(4-methoxyphenyl)-1-cyclopentanecarboxamide IUPAC Name: 1-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(pyridin-3-ylmethyl)amino]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide Traditional Name: 1-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-(3-pyridylmethyl)amino]-N-(4-methoxyphenyl)cyclopentanecarboxamide Formula: C27H31N5O3S MolecularWeight: 505.63174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CN=CC=C2)C3(CCCC3)C(=O)NC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CN=CC=C2)C3(CCCC3)C(=O)NC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C27H31N5O3S/c1-19-15-20(2)30-26(29-19)36-18-24(33)32(17-21-7-6-14-28-16-21)27(12-4-5-13-27)25(34)31-22-8-10-23(35-3)11-9-22/h6-11,14-16H,4-5,12-13,17-18H2,1-3H3,(H,31,34)