3-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-N,N-dimethyl-benzamide

Systemtic Name: 3-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-N,N-dimethyl-benzamide Openeye Name: 3-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]-N,N-dimethyl-benzamide CAS Name: 3-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 3-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide Traditional Name: 3-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]-N,N-dimethyl-benzamide Formula: C16H16N6O2S MolecularWeight: 356.40224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C16H16N6O2S/c1-22(2)15(24)10-4-3-5-12(6-10)20-13(23)9-25-16-19-8-11(7-17)14(18)21-16/h3-6,8H,9H2,1-2H3,(H,20,23)(H2,18,19,21)