3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C=C(S4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C=C(S4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C23H18N2O4S/c26-18(16-7-8-19-20(11-16)29-10-4-9-28-19)13-25-14-24-22-17(23(25)27)12-21(30-22)15-5-2-1-3-6-15/h1-3,5-8,11-12,14H,4,9-10,13H2