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

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-6-phenyl-1H-pyrimidin-4-one Formula: C18H13N5O3S MolecularWeight: 379.39252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O3S/c24-17-9-14(11-4-2-1-3-5-11)21-18(22-17)27-10-16-19-13-7-6-12(23(25)26)8-15(13)20-16/h1-9H,10H2,(H,19,20)(H,21,22,24)