2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC4=C(C=C3)OCCCO4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC4=C(C=C3)OCCCO4)C(=O)C

InChI

InChI=1S/C19H18N2O4S2/c1-10-16-18(23)20-15(21-19(16)27-17(10)11(2)22)9-26-12-4-5-13-14(8-12)25-7-3-6-24-13/h4-5,8H,3,6-7,9H2,1-2H3,(H,20,21,23)