3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide Openeye Name: 3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide CAS Name: 3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide IUPAC Name: 3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide Traditional Name: 3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propionamide Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H26N6O2/c1-22(2,3)28-20-17(13-26-28)21(30)27(14-25-20)11-9-19(29)23-10-8-15-12-24-18-7-5-4-6-16(15)18/h4-7,12-14,24H,8-11H2,1-3H3,(H,23,29)