tert-butyl 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)indole-1-carboxylate

Systemtic Name: tert-butyl 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)indole-1-carboxylate Openeye Name: tert-butyl 5-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)indole-1-carboxylate CAS Name: 5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)indole-1-carboxylate Traditional Name: 5-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)indole-1-carboxylic acid tert-butyl ester Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=N1)C3=CC4=C(C=C3)N(C=C4)C(=O)OC(C)(C)C)C(=NC=N2)N

Isomeric SMILES

CC(C)N1C2=C(C(=N1)C3=CC4=C(C=C3)N(C=C4)C(=O)OC(C)(C)C)C(=NC=N2)N

InChI

InChI=1S/C21H24N6O2/c1-12(2)27-19-16(18(22)23-11-24-19)17(25-27)14-6-7-15-13(10-14)8-9-26(15)20(28)29-21(3,4)5/h6-12H,1-5H3,(H2,22,23,24)