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

Systemtic Name: 4-[[4-(3-methylbutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-(isopentylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-(3-methylbutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide IUPAC Name: 4-[[4-(3-methylbutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-(isoamylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=NC2=C1C=CN2)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC(C)CCNC1=NC(=NC2=C1C=CN2)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C18H22N6O/c1-11(2)7-9-20-16-14-8-10-21-17(14)24-18(23-16)22-13-5-3-12(4-6-13)15(19)25/h3-6,8,10-11H,7,9H2,1-2H3,(H2,19,25)(H3,20,21,22,23,24)