2-(3-oxidanylidene-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-(3-prop-2-enoxyphenyl)ethanoic acid

Systemtic Name: 2-(3-oxidanylidene-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-(3-prop-2-enoxyphenyl)ethanoic acid Openeye Name: 2-(3-allyloxyphenyl)-2-(3-oxo-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)acetic acid CAS Name: 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-(3-prop-2-enoxyphenyl)acetic acid IUPAC Name: 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-(3-prop-2-enoxyphenyl)acetic acid Traditional Name: 2-(3-allyloxyphenyl)-2-(3-keto-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)acetic acid Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C(C(=O)O)N2C=NC3=C(C2=S)C(=O)NN3

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C(C(=O)O)N2C=NC3=C(C2=S)C(=O)NN3

InChI

InChI=1S/C16H14N4O4S/c1-2-6-24-10-5-3-4-9(7-10)12(16(22)23)20-8-17-13-11(15(20)25)14(21)19-18-13/h2-5,7-8,12H,1,6H2,(H,22,23)(H2,18,19,21)