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

Systemtic Name: 2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(cycloheptylamino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(cycloheptylamino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C19H22N3O2S- MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S/c23-17-12-16(14-8-4-3-5-9-14)21-19(22-17)25-13-18(24)20-15-10-6-1-2-7-11-15/h3-5,8-9,12,15H,1-2,6-7,10-11,13H2,(H,20,24)(H,21,22,23)/p-1