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

Systemtic Name: 5-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 5-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]pyrimidin-4-olate CAS Name: 5-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-4-pyrimidinolate IUPAC Name: 5-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 5-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]pyrimidin-4-olate Formula: C13H10N5O3S- MolecularWeight: 316.3152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1[O-])SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(N=C1[O-])SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

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