2-[[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C25H19N3O5S MolecularWeight: 473.50046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5C4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5C4=O)OC

InChI

InChI=1S/C25H19N3O5S/c1-32-20-12-11-15(13-21(20)33-2)28-24(31)18-9-5-6-10-19(18)26-25(28)34-14-27-22(29)16-7-3-4-8-17(16)23(27)30/h3-13H,14H2,1-2H3