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

Systemtic Name: 2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(cycloheptylamino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(cycloheptylamino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C13H18N3O2S- MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C13H19N3O2S/c17-11-7-8-14-13(16-11)19-9-12(18)15-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,15,18)(H,14,16,17)/p-1