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

Systemtic Name: 4-[[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-(isopropylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide IUPAC Name: 4-[[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-(isopropylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Formula: C16H18N6O MolecularWeight: 310.35372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC2=C1C=CN2)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC(C)NC1=NC(=NC2=C1C=CN2)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C16H18N6O/c1-9(2)19-15-12-7-8-18-14(12)21-16(22-15)20-11-5-3-10(4-6-11)13(17)23/h3-9H,1-2H3,(H2,17,23)(H3,18,19,20,21,22)