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

Systemtic Name: 4-[[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-(1-ethylpropylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide IUPAC Name: 4-[[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-(1-ethylpropylamino)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O/c1-3-12(4-2)21-17-14-9-10-20-16(14)23-18(24-17)22-13-7-5-11(6-8-13)15(19)25/h5-10,12H,3-4H2,1-2H3,(H2,19,25)(H3,20,21,22,23,24)