5-[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]sulfonyl-6-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 5-[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]sulfonyl-6-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 5-[[4-(1-methylbenzimidazol-2-yl)-1-piperidyl]sulfonyl]-6-oxo-1H-pyrimidin-2-olate CAS Name: 5-[[4-(1-methyl-2-benzimidazolyl)-1-piperidinyl]sulfonyl]-6-oxo-1H-pyrimidin-2-olate IUPAC Name: 5-[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]sulfonyl-6-oxo-1H-pyrimidin-2-olate Traditional Name: 6-keto-5-[4-(1-methylbenzimidazol-2-yl)piperidino]sulfonyl-1H-pyrimidin-2-olate Formula: C17H18N5O4S- MolecularWeight: 388.42092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3CCN(CC3)S(=O)(=O)C4=CN=C(NC4=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3CCN(CC3)S(=O)(=O)C4=CN=C(NC4=O)[O-]

InChI

InChI=1S/C17H19N5O4S/c1-21-13-5-3-2-4-12(13)19-15(21)11-6-8-22(9-7-11)27(25,26)14-10-18-17(24)20-16(14)23/h2-5,10-11H,6-9H2,1H3,(H2,18,20,23,24)/p-1