N-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H17N3O4S MolecularWeight: 419.45308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)NC(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)NC(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C22H17N3O4S/c1-13-6-8-14(9-7-13)15-11-30-21-19(15)22(27)25(12-23-21)24-20(26)18-10-28-16-4-2-3-5-17(16)29-18/h2-9,11-12,18H,10H2,1H3,(H,24,26)