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

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O3S/c1-2-3-9-6-14(21)19-15(16-9)24-8-13-17-11-5-4-10(20(22)23)7-12(11)18-13/h4-7H,2-3,8H2,1H3,(H,17,18)(H,16,19,21)