4-[[4-(1H-indazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-(1H-indazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-(1H-indazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-(1H-indazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide IUPAC Name: 4-[[4-(1H-indazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-(1H-indazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Formula: C20H16N8O MolecularWeight: 384.39404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=NN2)C(=C1)NC3=NC(=NC4=C3C=CN4)NC5=CC=C(C=C5)C(=O)N

Isomeric SMILES

C1=CC2=C(C=NN2)C(=C1)NC3=NC(=NC4=C3C=CN4)NC5=CC=C(C=C5)C(=O)N

InChI

InChI=1S/C20H16N8O/c21-17(29)11-4-6-12(7-5-11)24-20-26-18-13(8-9-22-18)19(27-20)25-15-2-1-3-16-14(15)10-23-28-16/h1-10H,(H2,21,29)(H,23,28)(H3,22,24,25,26,27)