5-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]isoindole-1,3-dione

Systemtic Name: 5-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]isoindole-1,3-dione Openeye Name: 5-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]isoindoline-1,3-dione CAS Name: 5-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]isoindole-1,3-dione IUPAC Name: 5-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]isoindole-1,3-dione Traditional Name: 5-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]isoindoline-1,3-quinone Formula: C18H16N6O2 MolecularWeight: 348.35864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=NC3=C2C=CN3)NC4=CC5=C(C=C4)C(=O)NC5=O

Isomeric SMILES

C1CC(C1)NC2=NC(=NC3=C2C=CN3)NC4=CC5=C(C=C4)C(=O)NC5=O

InChI

InChI=1S/C18H16N6O2/c25-16-11-5-4-10(8-13(11)17(26)24-16)21-18-22-14-12(6-7-19-14)15(23-18)20-9-2-1-3-9/h4-9H,1-3H2,(H,24,25,26)(H3,19,20,21,22,23)