N-[4-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[4-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-(4-thieno[3,2-d]pyrimidinylamino)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H16N4O4S2 MolecularWeight: 440.49544

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)NC4=NC=NC5=C4SC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)NC4=NC=NC5=C4SC=C5

InChI

InChI=1S/C20H16N4O4S2/c25-30(26,15-5-6-17-18(11-15)28-9-8-27-17)24-14-3-1-13(2-4-14)23-20-19-16(7-10-29-19)21-12-22-20/h1-7,10-12,24H,8-9H2,(H,21,22,23)