N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-2-(3-cyano-8-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-2-(3-cyano-8-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(3-cyano-8-methyl-2-quinolyl)sulfanyl]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide CAS Name: 2-[(3-cyano-8-methyl-2-quinolinyl)thio]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide IUPAC Name: 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide Traditional Name: 2-[(3-cyano-8-methyl-2-quinolyl)thio]-N-(2,4-diketo-1H-pyrimidin-5-yl)acetamide Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NC3=CNC(=O)NC3=O

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NC3=CNC(=O)NC3=O

InChI

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