(4-azanylquinazolin-2-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C20H17N5O3S/c1-12-9-13(25-28-12)11-29-19-15(6-4-8-22-19)20(26)27-10-17-23-16-7-3-2-5-14(16)18(21)24-17/h2-9H,10-11H2,1H3,(H2,21,23,24)