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

Systemtic Name: 2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoic acid Openeye Name: 2-(3-allyloxyphenyl)-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid CAS Name: 2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid IUPAC Name: 2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid Traditional Name: 2-(3-allyloxyphenyl)-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid Formula: C16H14N4O3S MolecularWeight: 342.37236

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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=NN3

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3S/c1-2-6-23-11-5-3-4-10(7-11)13(16(21)22)20-9-17-14-12(15(20)24)8-18-19-14/h2-5,7-9,13H,1,6H2,(H,18,19)(H,21,22)