2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C14H20N3O2S- MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C14H21N3O2S/c18-12-8-9-15-14(17-12)20-10-13(19)16-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7,10H2,(H,16,19)(H,15,17,18)/p-1