6-azanyl-2-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[3-[(4-chlorophenyl)thio]propylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[3-[(4-chlorophenyl)thio]propylthio]-1H-pyrimidin-4-one Formula: C13H14ClN3OS2 MolecularWeight: 327.85276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCSC2=NC(=O)C=C(N2)N)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCSC2=NC(=O)C=C(N2)N)Cl

InChI

InChI=1S/C13H14ClN3OS2/c14-9-2-4-10(5-3-9)19-6-1-7-20-13-16-11(15)8-12(18)17-13/h2-5,8H,1,6-7H2,(H3,15,16,17,18)