2-[2-(diethylazaniumyl)ethylsulfanyl]-3-(2-methylphenyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-(diethylazaniumyl)ethylsulfanyl]-3-(2-methylphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(diethylammonio)ethylsulfanyl]-3-(o-tolyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[2-(diethylammonio)ethylthio]-3-(2-methylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(diethylazaniumyl)ethylsulfanyl]-3-(2-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[2-(diethylammonio)ethylthio]-6-keto-3-(o-tolyl)pyrimidin-4-olate Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC(=O)C=C(N1C2=CC=CC=C2C)[O-]

Isomeric SMILES

CC[NH+](CC)CCSC1=NC(=O)C=C(N1C2=CC=CC=C2C)[O-]

InChI

InChI=1S/C17H23N3O2S/c1-4-19(5-2)10-11-23-17-18-15(21)12-16(22)20(17)14-9-7-6-8-13(14)3/h6-9,12,22H,4-5,10-11H2,1-3H3