5-butyl-2-butylsulfanyl-3-(3,4-dimethylphenyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 5-butyl-2-butylsulfanyl-3-(3,4-dimethylphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 5-butyl-2-butylsulfanyl-3-(3,4-dimethylphenyl)-6-oxo-pyrimidin-4-olate CAS Name: 5-butyl-2-(butylthio)-3-(3,4-dimethylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 5-butyl-2-butylsulfanyl-3-(3,4-dimethylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 5-butyl-2-(butylthio)-3-(3,4-dimethylphenyl)-6-keto-pyrimidin-4-olate Formula: C20H27N2O2S- MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCCCC)C2=CC(=C(C=C2)C)C)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCCCC)C2=CC(=C(C=C2)C)C)[O-]

InChI

InChI=1S/C20H28N2O2S/c1-5-7-9-17-18(23)21-20(25-12-8-6-2)22(19(17)24)16-11-10-14(3)15(4)13-16/h10-11,13,24H,5-9,12H2,1-4H3/p-1