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

Systemtic Name: tert-butyl 4-[4-azanyl-3-(4-azanyl-3-methoxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C22H29N7O3 MolecularWeight: 439.51076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(C(=N2)C4=CC(=C(C=C4)N)OC)C(=NC=N3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(C(=N2)C4=CC(=C(C=C4)N)OC)C(=NC=N3)N

InChI

InChI=1S/C22H29N7O3/c1-22(2,3)32-21(30)28-9-7-14(8-10-28)29-20-17(19(24)25-12-26-20)18(27-29)13-5-6-15(23)16(11-13)31-4/h5-6,11-12,14H,7-10,23H2,1-4H3,(H2,24,25,26)