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

Systemtic Name: 6-ethyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-ethyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-ethyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-ethyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-ethyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-1H-pyrimidin-4-one Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O3S/c1-2-8-5-13(20)18-14(15-8)23-7-12-16-10-4-3-9(19(21)22)6-11(10)17-12/h3-6H,2,7H2,1H3,(H,16,17)(H,15,18,20)