2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NC(=O)C4=C(N3)C=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NC(=O)C4=C(N3)C=CS4)OC1

InChI

InChI=1S/C16H14N2O3S2/c19-16-15-11(4-7-22-15)17-14(18-16)9-23-10-2-3-12-13(8-10)21-6-1-5-20-12/h2-4,7-8H,1,5-6,9H2,(H,17,18,19)