6-azanyl-2-(2-phenylsulfanylethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-(2-phenylsulfanylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-amino-2-(2-phenylsulfanylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-amino-2-[2-(phenylthio)ethylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-(2-phenylsulfanylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[2-(phenylthio)ethylthio]-1H-pyrimidin-4-one Formula: C12H13N3OS2 MolecularWeight: 279.38112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCSC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=CC=C(C=C1)SCCSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C12H13N3OS2/c13-10-8-11(16)15-12(14-10)18-7-6-17-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,13,14,15,16)