tert-butyl 4-[4-(3H-benzimidazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3H-benzimidazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3H-benzimidazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: 4-[4-(3H-benzimidazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3H-benzimidazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: 4-[4-(3H-benzimidazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester Formula: C23H25N7O2 MolecularWeight: 431.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=CC1)C2=CC3=C(N2)N=CN=C3NC4=CC5=C(C=C4)N=CN5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=CC1)C2=CC3=C(N2)N=CN=C3NC4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C23H25N7O2/c1-23(2,3)32-22(31)30-8-6-14(7-9-30)18-11-16-20(26-13-27-21(16)29-18)28-15-4-5-17-19(10-15)25-12-24-17/h4-6,10-13H,7-9H2,1-3H3,(H,24,25)(H2,26,27,28,29)