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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O3S/c1-8(2)11-6-14(21)19-15(18-11)24-7-13-16-10-4-3-9(20(22)23)5-12(10)17-13/h3-6,8H,7H2,1-2H3,(H,16,17)(H,18,19,21)