2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-propyl-1H-pyrimidin-4-one CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-6-propyl-1H-pyrimidin-4-one Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2COC3=CC=CC=C3O2

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H18N2O3S/c1-2-5-11-8-15(19)18-16(17-11)22-10-12-9-20-13-6-3-4-7-14(13)21-12/h3-4,6-8,12H,2,5,9-10H2,1H3,(H,17,18,19)