2-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(dicyclohexylamino)-2-oxo-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(dicyclohexylamino)-2-oxoethyl]thio]-6-ethyl-5-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(dicyclohexylamino)-2-oxoethyl]sulfanyl-6-ethyl-5-methylpyrimidin-4-olate Traditional Name: 2-[[2-(dicyclohexylamino)-2-keto-ethyl]thio]-6-ethyl-5-methyl-pyrimidin-4-olate Formula: C21H32N3O2S- MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)N(C2CCCCC2)C3CCCCC3)[O-])C

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)N(C2CCCCC2)C3CCCCC3)[O-])C

InChI

InChI=1S/C21H33N3O2S/c1-3-18-15(2)20(26)23-21(22-18)27-14-19(25)24(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h16-17H,3-14H2,1-2H3,(H,22,23,26)/p-1