4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-N-pyridin-3-yl-benzamide

Systemtic Name: 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-N-pyridin-3-yl-benzamide Openeye Name: 4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-(3-pyridyl)benzamide CAS Name: 4-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-N-(3-pyridinyl)benzamide IUPAC Name: 4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-pyridin-3-ylbenzamide Traditional Name: 4-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]-N-(3-pyridyl)benzamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CN=CC=C3)C

InChI

InChI=1S/C20H19N5O2S/c1-13-10-14(2)23-20(22-13)28-12-18(26)24-16-7-5-15(6-8-16)19(27)25-17-4-3-9-21-11-17/h3-11H,12H2,1-2H3,(H,24,26)(H,25,27)