2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(4-butylanilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(4-butylanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(4-butylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(4-butylanilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C16H19N3O2S/c1-2-3-4-12-5-7-13(8-6-12)18-15(21)11-22-16-17-10-9-14(20)19-16/h5-10H,2-4,11H2,1H3,(H,18,21)(H,17,19,20)/p-1