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

Systemtic Name: 2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate Openeye Name: 2-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate CAS Name: 2-[[2-(cycloheptylamino)-2-oxoethyl]thio]-6-ethyl-4-pyrimidinolate IUPAC Name: 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanyl-6-ethylpyrimidin-4-olate Traditional Name: 2-[[2-(cycloheptylamino)-2-keto-ethyl]thio]-6-ethyl-pyrimidin-4-olate Formula: C15H22N3O2S- MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC(=O)NC2CCCCCC2)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC(=O)NC2CCCCCC2)[O-]

InChI

InChI=1S/C15H23N3O2S/c1-2-11-9-13(19)18-15(17-11)21-10-14(20)16-12-7-5-3-4-6-8-12/h9,12H,2-8,10H2,1H3,(H,16,20)(H,17,18,19)/p-1