N-[2-oxidanyl-5-[[(6,7,8-trimethoxyquinazolin-4-yl)amino]methyl]phenyl]methanesulfonamide

Systemtic Name: N-[2-oxidanyl-5-[[(6,7,8-trimethoxyquinazolin-4-yl)amino]methyl]phenyl]methanesulfonamide Openeye Name: N-[2-hydroxy-5-[[(6,7,8-trimethoxyquinazolin-4-yl)amino]methyl]phenyl]methanesulfonamide CAS Name: N-[2-hydroxy-5-[[(6,7,8-trimethoxy-4-quinazolinyl)amino]methyl]phenyl]methanesulfonamide IUPAC Name: N-[2-hydroxy-5-[[(6,7,8-trimethoxyquinazolin-4-yl)amino]methyl]phenyl]methanesulfonamide Traditional Name: N-[2-hydroxy-5-[[(6,7,8-trimethoxyquinazolin-4-yl)amino]methyl]phenyl]methanesulfonamide Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=NC=N2)NCC3=CC(=C(C=C3)O)NS(=O)(=O)C)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=NC=N2)NCC3=CC(=C(C=C3)O)NS(=O)(=O)C)OC)OC

InChI

InChI=1S/C19H22N4O6S/c1-27-15-8-12-16(18(29-3)17(15)28-2)21-10-22-19(12)20-9-11-5-6-14(24)13(7-11)23-30(4,25)26/h5-8,10,23-24H,9H2,1-4H3,(H,20,21,22)