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

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H20N2O4S/c1-2-4-13-10-17(22)20-18(19-13)25-11-14(21)12-5-6-15-16(9-12)24-8-3-7-23-15/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,19,20,22)