2-azanyl-5-cyano-6-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 2-azanyl-5-cyano-6-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-amino-5-cyano-6-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-N-phenyl-pyridine-3-carboxamide CAS Name: 2-amino-5-cyano-6-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-amino-5-cyano-6-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide Traditional Name: 2-amino-5-cyano-6-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-N-phenyl-nicotinamide Formula: C23H18N6O2S MolecularWeight: 442.49302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)N

InChI

InChI=1S/C23H18N6O2S/c1-13-6-5-9-16-19(13)27-18(28-21(16)30)12-32-23-14(11-24)10-17(20(25)29-23)22(31)26-15-7-3-2-4-8-15/h2-10H,12H2,1H3,(H2,25,29)(H,26,31)(H,27,28,30)