2-[[2-azanyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-azanyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]isoindoline-1,3-quinone Formula: C20H14N6O2 MolecularWeight: 370.36416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC(=NC(=C3)C4=CNC5=C4C=CC=N5)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC(=NC(=C3)C4=CNC5=C4C=CC=N5)N

InChI

InChI=1S/C20H14N6O2/c21-20-24-11(10-26-18(27)13-4-1-2-5-14(13)19(26)28)8-16(25-20)15-9-23-17-12(15)6-3-7-22-17/h1-9H,10H2,(H,22,23)(H2,21,24,25)