N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]pyridine-3-carboxamide

Systemtic Name: N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]pyridine-3-carboxamide Openeye Name: N-methyl-2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]pyridine-3-carboxamide CAS Name: N-methyl-2-[(5-methyl-3-isoxazolyl)methylthio]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-pyridinecarboxamide IUPAC Name: N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]pyridine-3-carboxamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H19N5O3S/c1-13-10-14(25-29-13)12-30-20-16(7-5-9-22-20)21(28)26(2)11-18-23-17-8-4-3-6-15(17)19(27)24-18/h3-10H,11-12H2,1-2H3,(H,23,24,27)