N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(3-cyano-6,7-dimethyl-2-quinolyl)sulfanyl]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide CAS Name: 2-[(3-cyano-6,7-dimethyl-2-quinolinyl)thio]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide IUPAC Name: 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide Traditional Name: 2-[(3-cyano-6,7-dimethyl-2-quinolyl)thio]-N-(2,4-diketo-1H-pyrimidin-5-yl)acetamide Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CNC(=O)NC3=O)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CNC(=O)NC3=O)C#N)C

InChI

InChI=1S/C18H15N5O3S/c1-9-3-11-5-12(6-19)17(22-13(11)4-10(9)2)27-8-15(24)21-14-7-20-18(26)23-16(14)25/h3-5,7H,8H2,1-2H3,(H,21,24)(H2,20,23,25,26)