(phenylmethyl) 4-[4-azanyl-3-(4-azanyl-3-methoxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-azanyl-3-(4-azanyl-3-methoxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[4-amino-3-(4-amino-3-methoxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-amino-3-(4-amino-3-methoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-amino-3-(4-amino-3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-amino-3-(4-amino-3-methoxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid benzyl ester Formula: C25H27N7O3 MolecularWeight: 473.52698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCN(CC4)C(=O)OCC5=CC=CC=C5)N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCN(CC4)C(=O)OCC5=CC=CC=C5)N

InChI

InChI=1S/C25H27N7O3/c1-34-20-13-17(7-8-19(20)26)22-21-23(27)28-15-29-24(21)32(30-22)18-9-11-31(12-10-18)25(33)35-14-16-5-3-2-4-6-16/h2-8,13,15,18H,9-12,14,26H2,1H3,(H2,27,28,29)