tert-butyl 4-[[6-azanyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 4-[[6-azanyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 4-[[6-amino-4-(2-furyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]indole-1-carboxylate CAS Name: 4-[[6-amino-4-(2-furanyl)-1-pyrazolo[3,4-d]pyrimidinyl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]indole-1-carboxylate Traditional Name: 4-[[6-amino-4-(2-furyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C23H22N6O3 MolecularWeight: 430.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C(C=CC=C21)CN3C4=NC(=NC(=C4C=N3)C5=CC=CO5)N

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C(C=CC=C21)CN3C4=NC(=NC(=C4C=N3)C5=CC=CO5)N

InChI

InChI=1S/C23H22N6O3/c1-23(2,3)32-22(30)28-10-9-15-14(6-4-7-17(15)28)13-29-20-16(12-25-29)19(26-21(24)27-20)18-8-5-11-31-18/h4-12H,13H2,1-3H3,(H2,24,26,27)