(5R)-5-[2-(dimethylazaniumyl)ethyliminomethyl]-1-(2,5-dimethylphenyl)-6-oxidanylidene-2-sulfanylidene-5H-pyrimidin-4-olate

Systemtic Name: (5R)-5-[2-(dimethylazaniumyl)ethyliminomethyl]-1-(2,5-dimethylphenyl)-6-oxidanylidene-2-sulfanylidene-5H-pyrimidin-4-olate Openeye Name: (5R)-5-[2-(dimethylammonio)ethyliminomethyl]-1-(2,5-dimethylphenyl)-6-oxo-2-thioxo-5H-pyrimidin-4-olate CAS Name: (5R)-5-[2-(dimethylammonio)ethyliminomethyl]-1-(2,5-dimethylphenyl)-6-oxo-2-sulfanylidene-5H-pyrimidin-4-olate IUPAC Name: (5R)-5-[2-(dimethylazaniumyl)ethyliminomethyl]-1-(2,5-dimethylphenyl)-6-oxo-2-sulfanylidene-5H-pyrimidin-4-olate Traditional Name: (5R)-5-[2-(dimethylammonio)ethyliminomethyl]-1-(2,5-dimethylphenyl)-6-keto-2-thioxo-5H-pyrimidin-4-olate Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C(C(=NC2=S)[O-])C=NCC[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)[C@@H](C(=NC2=S)[O-])C=NCC[NH+](C)C

InChI

InChI=1S/C17H22N4O2S/c1-11-5-6-12(2)14(9-11)21-16(23)13(15(22)19-17(21)24)10-18-7-8-20(3)4/h5-6,9-10,13H,7-8H2,1-4H3,(H,19,22,24)/t13-/m1/s1