2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-N-phenyl-benzamide

Systemtic Name: 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-N-phenyl-benzamide Openeye Name: 2-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]-N-phenyl-benzamide CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-phenylbenzamide Traditional Name: 2-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]-N-phenyl-benzamide Formula: C20H16N6O2S MolecularWeight: 404.44504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C20H16N6O2S/c21-10-13-11-23-20(26-18(13)22)29-12-17(27)25-16-9-5-4-8-15(16)19(28)24-14-6-2-1-3-7-14/h1-9,11H,12H2,(H,24,28)(H,25,27)(H2,22,23,26)