2-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinazolin-2-yl]methylsulfanyl]ethanol

Systemtic Name: 2-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinazolin-2-yl]methylsulfanyl]ethanol Openeye Name: 2-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinazolin-2-yl]methylsulfanyl]ethanol CAS Name: 2-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-quinazolinyl]methylthio]ethanol IUPAC Name: 2-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methylsulfanyl]ethanol Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinazolin-2-yl]methylthio]ethanol Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)CSCCO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)CSCCO)OC

InChI

InChI=1S/C21H24N2O5S/c1-25-16-6-5-13(9-17(16)26-2)21-14-10-18(27-3)19(28-4)11-15(14)22-20(23-21)12-29-8-7-24/h5-6,9-11,24H,7-8,12H2,1-4H3