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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3)OC1

InChI

InChI=1S/C22H18N2O3S2/c25-21-20-16(14-5-2-1-3-6-14)12-29-22(20)24-19(23-21)13-28-15-7-8-17-18(11-15)27-10-4-9-26-17/h1-3,5-8,11-12H,4,9-10,13H2,(H,23,24,25)