1-(4-oxidanyl-4-phenyl-piperidin-1-yl)-2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone

Systemtic Name: 1-(4-oxidanyl-4-phenyl-piperidin-1-yl)-2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Openeye Name: 2-(3-allyloxyphenyl)-1-(4-hydroxy-4-phenyl-1-piperidyl)-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone CAS Name: 1-(4-hydroxy-4-phenyl-1-piperidinyl)-2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone IUPAC Name: 1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Traditional Name: 2-(3-allyloxyphenyl)-1-(4-hydroxy-4-phenyl-piperidino)-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C(C(=O)N2CCC(CC2)(C3=CC=CC=C3)O)N4C=NC5=C(C4=S)C=NN5

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C(C(=O)N2CCC(CC2)(C3=CC=CC=C3)O)N4C=NC5=C(C4=S)C=NN5

InChI

InChI=1S/C27H27N5O3S/c1-2-15-35-21-10-6-7-19(16-21)23(32-18-28-24-22(26(32)36)17-29-30-24)25(33)31-13-11-27(34,12-14-31)20-8-4-3-5-9-20/h2-10,16-18,23,34H,1,11-15H2,(H,29,30)