6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-1H-pyrimidin-4-one Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S/c1-7-4-12(19)17-13(14-7)22-6-11-15-9-3-2-8(18(20)21)5-10(9)16-11/h2-5H,6H2,1H3,(H,15,16)(H,14,17,19)