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

Systemtic Name: cyclohexyl 2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: cyclohexyl 2-(3-allyloxyphenyl)-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate CAS Name: 2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate Traditional Name: 2-(3-allyloxyphenyl)-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid cyclohexyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C(C(=O)OC2CCCCC2)N3C=NC4=C(C3=S)C=NN4

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C(C(=O)OC2CCCCC2)N3C=NC4=C(C3=S)C=NN4

InChI

InChI=1S/C22H24N4O3S/c1-2-11-28-17-10-6-7-15(12-17)19(22(27)29-16-8-4-3-5-9-16)26-14-23-20-18(21(26)30)13-24-25-20/h2,6-7,10,12-14,16,19H,1,3-5,8-9,11H2,(H,24,25)