N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2,5-dimethoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2,5-dimethoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(2,5-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(2,5-dimethoxyphenyl)-N-(1,1-dioxo-3-thiolanyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(2,5-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-4-oxoquinazoline-7-carboxamide Traditional Name: N-(1,1-diketothiolan-3-yl)-3-(2,5-dimethoxyphenyl)-4-keto-quinazoline-7-carboxamide Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C=NC3=C(C2=O)C=CC(=C3)C(=O)NC4CCS(=O)(=O)C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C=NC3=C(C2=O)C=CC(=C3)C(=O)NC4CCS(=O)(=O)C4

InChI

InChI=1S/C21H21N3O6S/c1-29-15-4-6-19(30-2)18(10-15)24-12-22-17-9-13(3-5-16(17)21(24)26)20(25)23-14-7-8-31(27,28)11-14/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,23,25)