5-[2-(dimethylazaniumyl)ethylcarbamoyl]-3-phenyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[2-(dimethylazaniumyl)ethylcarbamoyl]-3-phenyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[2-(dimethylammonio)ethylcarbamoyl]-3-phenyl-2-thioxo-pyrimidin-4-olate CAS Name: 5-[[2-(dimethylammonio)ethylamino]-oxomethyl]-3-phenyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[2-(dimethylazaniumyl)ethylcarbamoyl]-3-phenyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[2-(dimethylammonio)ethylcarbamoyl]-3-phenyl-2-thioxo-pyrimidin-4-olate Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=C(N(C(=S)N=C1)C2=CC=CC=C2)[O-]

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=C(N(C(=S)N=C1)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H18N4O2S/c1-18(2)9-8-16-13(20)12-10-17-15(22)19(14(12)21)11-6-4-3-5-7-11/h3-7,10,21H,8-9H2,1-2H3,(H,16,20)