4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-ethanoyl-6-methyl-1H-pyrimidin-2-one

Systemtic Name: 4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-ethanoyl-6-methyl-1H-pyrimidin-2-one Openeye Name: 5-acetyl-4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one CAS Name: 5-acetyl-4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-6-methyl-1H-pyrimidin-2-one IUPAC Name: 5-acetyl-4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one Traditional Name: 5-acetyl-4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-6-methyl-1H-pyrimidin-2-one Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)C

InChI

InChI=1S/C17H17ClN2O4S/c1-9-14(10(2)21)16(20-17(22)19-9)25-8-11-6-12(18)15-13(7-11)23-4-3-5-24-15/h6-7H,3-5,8H2,1-2H3,(H,19,20,22)