3-[3-(2,5-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpentane-2,4-dione

Systemtic Name: 3-[3-(2,5-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpentane-2,4-dione Openeye Name: 3-[3-(2,5-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylpentane-2,4-dione CAS Name: 3-[[3-(2,5-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]pentane-2,4-dione IUPAC Name: 3-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpentane-2,4-dione Traditional Name: 3-[[3-(2,5-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]pentane-2,4-dione Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H20N2O5S/c1-12(24)19(13(2)25)29-21-22-16-8-6-5-7-15(16)20(26)23(21)17-11-14(27-3)9-10-18(17)28-4/h5-11,19H,1-4H3