6-azanyl-2-[3-(3-chloranylphenoxy)propylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[3-(3-chloranylphenoxy)propylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[3-(3-chlorophenoxy)propylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[3-(3-chlorophenoxy)propylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[3-(3-chlorophenoxy)propylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[3-(3-chlorophenoxy)propylthio]-1H-pyrimidin-4-one Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)OCCCSC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)OCCCSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C13H14ClN3O2S/c14-9-3-1-4-10(7-9)19-5-2-6-20-13-16-11(15)8-12(18)17-13/h1,3-4,7-8H,2,5-6H2,(H3,15,16,17,18)