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

Systemtic Name: 5-methoxy-3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-2-phenylsulfanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 5-methoxy-3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-2-phenylsulfanyl-1,4-benzoquinone CAS Name: 5-methoxy-3-[[6-methoxy-7-(2-methoxyethoxy)-4-quinazolinyl]amino]-2-(phenylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 5-methoxy-3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-2-phenylsulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 5-methoxy-3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-2-(phenylthio)-p-benzoquinone Formula: C25H23N3O6S MolecularWeight: 493.53162

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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)SC4=CC=CC=C4)OC

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=O)C=C(C3=O)OC)SC4=CC=CC=C4)OC

InChI

InChI=1S/C25H23N3O6S/c1-31-9-10-34-20-12-17-16(11-19(20)32-2)25(27-14-26-17)28-22-23(30)21(33-3)13-18(29)24(22)35-15-7-5-4-6-8-15/h4-8,11-14H,9-10H2,1-3H3,(H,26,27,28)