2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(cycloheptylamino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(cycloheptylamino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H20N3O2S- MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2CCCCCC2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2CCCCCC2)[O-]

InChI

InChI=1S/C14H21N3O2S/c1-10-8-12(18)17-14(15-10)20-9-13(19)16-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,16,19)(H,15,17,18)/p-1