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

Systemtic Name: 2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-methylsulfanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-methylsulfanyl-1,4-benzoquinone CAS Name: 2-[[6-methoxy-7-(2-methoxyethoxy)-4-quinazolinyl]amino]-5-(methylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-methylsulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-(methylthio)-p-benzoquinone Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-25-4-5-27-17-8-12-11(6-16(17)26-2)19(21-10-20-12)22-13-7-15(24)18(28-3)9-14(13)23/h6-10H,4-5H2,1-3H3,(H,20,21,22)