N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-2-(3-cyano-6-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-2-(3-cyano-6-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(3-cyano-6-methyl-2-quinolyl)sulfanyl]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide CAS Name: 2-[(3-cyano-6-methyl-2-quinolinyl)thio]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide IUPAC Name: 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide Traditional Name: 2-[(3-cyano-6-methyl-2-quinolyl)thio]-N-(2,4-diketo-1H-pyrimidin-5-yl)acetamide Formula: C17H13N5O3S MolecularWeight: 367.38182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CNC(=O)NC3=O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CNC(=O)NC3=O

InChI

InChI=1S/C17H13N5O3S/c1-9-2-3-12-10(4-9)5-11(6-18)16(21-12)26-8-14(23)20-13-7-19-17(25)22-15(13)24/h2-5,7H,8H2,1H3,(H,20,23)(H2,19,22,24,25)