2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H26N3O2S- MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2CCCCCCC2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2CCCCCCC2)[O-]

InChI

InChI=1S/C17H27N3O2S/c1-2-8-14-11-15(21)20-17(19-14)23-12-16(22)18-13-9-6-4-3-5-7-10-13/h11,13H,2-10,12H2,1H3,(H,18,22)(H,19,20,21)/p-1