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

Systemtic Name: 3-[2-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanylethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanylacetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-[(5-cyano-2-cyclopropyl-6-methyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-(5-cyano-2-cyclopropyl-6-methylpyrimidin-4-yl)sulfanylacetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)C#N

InChI

InChI=1S/C21H21N5O2S/c1-12-17(10-22)21(26-19(23-12)13-5-6-13)29-11-18(27)24-16-4-2-3-14(9-16)20(28)25-15-7-8-15/h2-4,9,13,15H,5-8,11H2,1H3,(H,24,27)(H,25,28)