3-(1H-indol-3-yl)-N-[4-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propanamide

Systemtic Name: 3-(1H-indol-3-yl)-N-[4-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propanamide Openeye Name: 3-(1H-indol-3-yl)-N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propanamide CAS Name: 3-(1H-indol-3-yl)-N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propanamide IUPAC Name: 3-(1H-indol-3-yl)-N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propanamide Traditional Name: 3-(1H-indol-3-yl)-N-[4-(4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propionamide Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC3=CC=C(C=C3)N4C5=NC=NC(=O)C5=CN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC3=CC=C(C=C3)N4C5=NC=NC(=O)C5=CN4

InChI

InChI=1S/C22H18N6O2/c29-20(10-5-14-11-23-19-4-2-1-3-17(14)19)27-15-6-8-16(9-7-15)28-21-18(12-26-28)22(30)25-13-24-21/h1-4,6-9,11-13,23,26H,5,10H2,(H,27,29)