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

Systemtic Name: N-methyl-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]-N-methyl-benzamide CAS Name: N-methyl-4-[[4-(2-methylpropylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide IUPAC Name: N-methyl-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]-N-methyl-benzamide Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O/c1-11(2)10-21-16-14-8-9-20-15(14)23-18(24-16)22-13-6-4-12(5-7-13)17(25)19-3/h4-9,11H,10H2,1-3H3,(H,19,25)(H3,20,21,22,23,24)