1-[1-(2-cyanoethyl)pyrrol-2-yl]sulfonyl-3-(4,6-dimethylpyrimidin-2-yl)urea

Systemtic Name: 1-[1-(2-cyanoethyl)pyrrol-2-yl]sulfonyl-3-(4,6-dimethylpyrimidin-2-yl)urea Openeye Name: 1-[1-(2-cyanoethyl)pyrrol-2-yl]sulfonyl-3-(4,6-dimethylpyrimidin-2-yl)urea CAS Name: 1-[[1-(2-cyanoethyl)-2-pyrrolyl]sulfonyl]-3-(4,6-dimethyl-2-pyrimidinyl)urea IUPAC Name: 1-[1-(2-cyanoethyl)pyrrol-2-yl]sulfonyl-3-(4,6-dimethylpyrimidin-2-yl)urea Traditional Name: 1-[1-(2-cyanoethyl)pyrrol-2-yl]sulfonyl-3-(4,6-dimethylpyrimidin-2-yl)urea Formula: C14H16N6O3S MolecularWeight: 348.38024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CN2CCC#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CN2CCC#N)C

InChI

InChI=1S/C14H16N6O3S/c1-10-9-11(2)17-13(16-10)18-14(21)19-24(22,23)12-5-3-7-20(12)8-4-6-15/h3,5,7,9H,4,8H2,1-2H3,(H2,16,17,18,19,21)