2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-(3-phenylprop-2-ynoxy)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-(3-phenylprop-2-ynoxy)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-(3-phenylprop-2-ynoxy)-1,4-benzoquinone CAS Name: 2-[[6-methoxy-7-(2-methoxyethoxy)-4-quinazolinyl]amino]-5-(3-phenylprop-2-ynoxy)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-(3-phenylprop-2-ynoxy)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-(3-phenylprop-2-ynoxy)-p-benzoquinone Formula: C27H23N3O6 MolecularWeight: 485.48802

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=O)C(=CC3=O)OCC#CC4=CC=CC=C4)OC

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=O)C(=CC3=O)OCC#CC4=CC=CC=C4)OC

InChI

InChI=1S/C27H23N3O6/c1-33-11-12-36-26-15-20-19(13-25(26)34-2)27(29-17-28-20)30-21-14-23(32)24(16-22(21)31)35-10-6-9-18-7-4-3-5-8-18/h3-5,7-8,13-17H,10-12H2,1-2H3,(H,28,29,30)