N-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C22H17N3O4S/c26-20(15-7-8-17-18(11-15)29-10-4-9-28-17)24-25-13-23-21-19(22(25)27)16(12-30-21)14-5-2-1-3-6-14/h1-3,5-8,11-13H,4,9-10H2,(H,24,26)