2-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(1-methyl-2-benzimidazolyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(1-methylbenzimidazol-2-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C16H17N4OS- MolecularWeight: 313.39738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=NC3=CC=CC=C3N2C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=NC3=CC=CC=C3N2C)[O-]

InChI

InChI=1S/C16H18N4OS/c1-3-6-11-9-15(21)19-16(17-11)22-10-14-18-12-7-4-5-8-13(12)20(14)2/h4-5,7-9H,3,6,10H2,1-2H3,(H,17,19,21)/p-1