4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide IUPAC Name: 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Formula: C20H16N8O MolecularWeight: 384.39404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC2=NC3=C(C=CN3)C(=N2)NC4=CC5=C(C=C4)C=NN5

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC2=NC3=C(C=CN3)C(=N2)NC4=CC5=C(C=C4)C=NN5

InChI

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