3-[2-(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanylethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[2-(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanylethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanylacetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-[(5-cyano-2-ethyl-6-methyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-(5-cyano-2-ethyl-6-methylpyrimidin-4-yl)sulfanylacetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3)C#N)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3)C#N)C

InChI

InChI=1S/C20H21N5O2S/c1-3-17-22-12(2)16(10-21)20(25-17)28-11-18(26)23-15-6-4-5-13(9-15)19(27)24-14-7-8-14/h4-6,9,14H,3,7-8,11H2,1-2H3,(H,23,26)(H,24,27)