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

Systemtic Name: 5-methoxy-3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-2-(phenylmethylsulfanyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-benzylsulfanyl-5-methoxy-3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,4-benzoquinone CAS Name: 5-methoxy-3-[[6-methoxy-7-(2-methoxyethoxy)-4-quinazolinyl]amino]-2-(phenylmethylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-benzylsulfanyl-5-methoxy-3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(benzylthio)-5-methoxy-3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-p-benzoquinone Formula: C26H25N3O6S MolecularWeight: 507.5582

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=O)C=C(C3=O)OC)SCC4=CC=CC=C4)OC

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=O)C=C(C3=O)OC)SCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H25N3O6S/c1-32-9-10-35-21-12-18-17(11-20(21)33-2)26(28-15-27-18)29-23-24(31)22(34-3)13-19(30)25(23)36-14-16-7-5-4-6-8-16/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,27,28,29)