2-methylsulfanyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[[(2R)-2-oxolanyl]methyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]pyridine-3-carboxamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-2-(methylthio)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]nicotinamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N(CC2CCCO2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N(C[C@H]2CCCO2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H22N4O3S/c1-29-20-16(8-4-10-22-20)21(27)25(12-14-6-5-11-28-14)13-18-23-17-9-3-2-7-15(17)19(26)24-18/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,23,24,26)/t14-/m1/s1