2-bromanyl-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-bromanyl-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-bromo-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,4-benzoquinone CAS Name: 2-bromo-5-[[6-methoxy-7-(2-methoxyethoxy)-4-quinazolinyl]amino]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-bromo-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-bromo-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-p-benzoquinone Formula: C18H16BrN3O5 MolecularWeight: 434.24074

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=O)C(=CC3=O)Br)OC

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=O)C(=CC3=O)Br)OC

InChI

InChI=1S/C18H16BrN3O5/c1-25-3-4-27-17-8-12-10(5-16(17)26-2)18(21-9-20-12)22-13-7-14(23)11(19)6-15(13)24/h5-9H,3-4H2,1-2H3,(H,20,21,22)