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

Systemtic Name: 4-[[4-(2-methylpropylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-(isobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-(2-methylpropylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide IUPAC Name: 4-[[4-(2-methylpropylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-(isobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Formula: C17H20N6O MolecularWeight: 324.3803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC2=C1C=CN2)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC(C)CNC1=NC(=NC2=C1C=CN2)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C17H20N6O/c1-10(2)9-20-16-13-7-8-19-15(13)22-17(23-16)21-12-5-3-11(4-6-12)14(18)24/h3-8,10H,9H2,1-2H3,(H2,18,24)(H3,19,20,21,22,23)