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

Systemtic Name: 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C16H16N5O2S- MolecularWeight: 342.39554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCCC2=NC3=CC=CC=C3N2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCCC2=NC3=CC=CC=C3N2)[O-]

InChI

InChI=1S/C16H17N5O2S/c1-10-8-14(22)21-16(18-10)24-9-15(23)17-7-6-13-19-11-4-2-3-5-12(11)20-13/h2-5,8H,6-7,9H2,1H3,(H,17,23)(H,19,20)(H,18,21,22)/p-1