1-[(2S)-2,3-diazidopropyl]-5-methyl-2-methylsulfanyl-pyrimidin-4-one

Systemtic Name: 1-[(2S)-2,3-diazidopropyl]-5-methyl-2-methylsulfanyl-pyrimidin-4-one Openeye Name: 1-[(2S)-2,3-diazidopropyl]-5-methyl-2-methylsulfanyl-pyrimidin-4-one CAS Name: 1-[(2S)-2,3-diazidopropyl]-5-methyl-2-(methylthio)-4-pyrimidinone IUPAC Name: 1-[(2S)-2,3-diazidopropyl]-5-methyl-2-methylsulfanylpyrimidin-4-one Traditional Name: 1-[(2S)-2,3-diazidopropyl]-5-methyl-2-(methylthio)pyrimidin-4-one Formula: C9H12N8OS MolecularWeight: 280.30958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=NC1=O)SC)CC(CN=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

CC1=CN(C(=NC1=O)SC)C[C@@H](CN=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C9H12N8OS/c1-6-4-17(9(19-2)13-8(6)18)5-7(14-16-11)3-12-15-10/h4,7H,3,5H2,1-2H3/t7-/m1/s1