N-[5-(3,5-dimethoxyphenoxy)-4-oxidanylidene-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[5-(3,5-dimethoxyphenoxy)-4-oxidanylidene-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[5-(3,5-dimethoxyphenoxy)-4-oxo-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[5-(3,5-dimethoxyphenoxy)-4-oxo-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[5-(3,5-dimethoxyphenoxy)-4-oxo-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[5-(3,5-dimethoxyphenoxy)-4-keto-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide Formula: C19H17N3O8S MolecularWeight: 447.41858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OC2=C(NC=NC2=O)NS(=O)(=O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)OC2=C(NC=NC2=O)NS(=O)(=O)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C19H17N3O8S/c1-26-11-5-12(27-2)7-13(6-11)30-17-18(20-9-21-19(17)23)22-31(24,25)14-3-4-15-16(8-14)29-10-28-15/h3-9H,10H2,1-2H3,(H2,20,21,22,23)