2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C16H17ClN2O3S MolecularWeight: 352.83578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C16H17ClN2O3S/c1-2-3-11-8-14(20)19-16(18-11)23-9-10-6-12(17)15-13(7-10)21-4-5-22-15/h6-8H,2-5,9H2,1H3,(H,18,19,20)