2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C16H18N3O4S- MolecularWeight: 348.39682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=CC(=N2)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=CC(=N2)[O-])OC

InChI

InChI=1S/C16H19N3O4S/c1-22-12-4-3-11(9-13(12)23-2)5-7-17-15(21)10-24-16-18-8-6-14(20)19-16/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,17,21)(H,18,19,20)/p-1