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

Systemtic Name: N-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C21H15N3O4S/c25-19(17-10-27-15-8-4-5-9-16(15)28-17)23-24-12-22-20-18(21(24)26)14(11-29-20)13-6-2-1-3-7-13/h1-9,11-12,17H,10H2,(H,23,25)