2-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(1H-benzimidazol-2-ylmethylamino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C15H14N5O2S- MolecularWeight: 328.36896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCC2=NC3=CC=CC=C3N2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCC2=NC3=CC=CC=C3N2)[O-]

InChI

InChI=1S/C15H15N5O2S/c1-9-6-13(21)20-15(17-9)23-8-14(22)16-7-12-18-10-4-2-3-5-11(10)19-12/h2-6H,7-8H2,1H3,(H,16,22)(H,18,19)(H,17,20,21)/p-1