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

Systemtic Name: tert-butyl 4-[3-(4-aminophenyl)-4-azanyl-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-amino-3-(4-aminophenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27N7O2 MolecularWeight: 409.48478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O2/c1-21(2,3)30-20(29)27-10-8-15(9-11-27)28-19-16(18(23)24-12-25-19)17(26-28)13-4-6-14(22)7-5-13/h4-7,12,15H,8-11,22H2,1-3H3,(H2,23,24,25)