2-[(6,7-dimethoxyquinazolin-4-yl)amino]-5-phenoxy-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[(6,7-dimethoxyquinazolin-4-yl)amino]-5-phenoxy-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[(6,7-dimethoxyquinazolin-4-yl)amino]-5-phenoxy-1,4-benzoquinone CAS Name: 2-[(6,7-dimethoxy-4-quinazolinyl)amino]-5-phenoxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[(6,7-dimethoxyquinazolin-4-yl)amino]-5-phenoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[(6,7-dimethoxyquinazolin-4-yl)amino]-5-phenoxy-p-benzoquinone Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=O)C(=CC3=O)OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=O)C(=CC3=O)OC4=CC=CC=C4)OC

InChI

InChI=1S/C22H17N3O5/c1-28-20-8-14-15(10-21(20)29-2)23-12-24-22(14)25-16-9-18(27)19(11-17(16)26)30-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,23,24,25)