3-nitro-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Openeye Name: 3-nitro-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide CAS Name: 3-nitro-N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Traditional Name: 3-nitro-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C22H21N7O3 MolecularWeight: 431.44724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N7O3/c30-22(17-7-4-8-18(13-17)29(31)32)24-11-12-28-21-19(14-27-28)20(25-15-26-21)23-10-9-16-5-2-1-3-6-16/h1-8,13-15H,9-12H2,(H,24,30)(H,23,25,26)