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

Systemtic Name: 2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-phenylsulfanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-phenylsulfanyl-1,4-benzoquinone CAS Name: 2-[[6-methoxy-7-(2-methoxyethoxy)-4-quinazolinyl]amino]-5-(phenylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-phenylsulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-(phenylthio)-p-benzoquinone Formula: C24H21N3O5S MolecularWeight: 463.50564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=O)C(=CC3=O)SC4=CC=CC=C4)OC

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=O)C(=CC3=O)SC4=CC=CC=C4)OC

InChI

InChI=1S/C24H21N3O5S/c1-30-8-9-32-22-12-17-16(10-21(22)31-2)24(26-14-25-17)27-18-11-20(29)23(13-19(18)28)33-15-6-4-3-5-7-15/h3-7,10-14H,8-9H2,1-2H3,(H,25,26,27)