3-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile IUPAC Name: 3-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile Formula: C17H16N6 MolecularWeight: 304.34914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=NC3=C2C=CN3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC(C1)NC2=NC(=NC3=C2C=CN3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C17H16N6/c18-10-11-3-1-6-13(9-11)21-17-22-15-14(7-8-19-15)16(23-17)20-12-4-2-5-12/h1,3,6-9,12H,2,4-5H2,(H3,19,20,21,22,23)