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

Systemtic Name: cyclohexyl 2-(3-oxidanylidene-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-(3-prop-2-enoxyphenyl)ethanoate Openeye Name: cyclohexyl 2-(3-allyloxyphenyl)-2-(3-oxo-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)acetate CAS Name: 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-(3-prop-2-enoxyphenyl)acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-(3-prop-2-enoxyphenyl)acetate Traditional Name: 2-(3-allyloxyphenyl)-2-(3-keto-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)acetic acid cyclohexyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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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(=O)NN4

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4S/c1-2-11-29-16-10-6-7-14(12-16)18(22(28)30-15-8-4-3-5-9-15)26-13-23-19-17(21(26)31)20(27)25-24-19/h2,6-7,10,12-13,15,18H,1,3-5,8-9,11H2,(H2,24,25,27)