tert-butyl N-[2-[4-[(9-cyclopropyl-8-pyridin-4-yl-purin-2-yl)amino]phenyl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[4-[(9-cyclopropyl-8-pyridin-4-yl-purin-2-yl)amino]phenyl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[4-[[9-cyclopropyl-8-(4-pyridyl)purin-2-yl]amino]phenyl]ethyl]carbamate CAS Name: N-[2-[4-[(9-cyclopropyl-8-pyridin-4-yl-2-purinyl)amino]phenyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-[(9-cyclopropyl-8-pyridin-4-ylpurin-2-yl)amino]phenyl]ethyl]carbamate Traditional Name: N-[2-[4-[[9-cyclopropyl-8-(4-pyridyl)purin-2-yl]amino]phenyl]ethyl]carbamic acid tert-butyl ester Formula: C26H29N7O2 MolecularWeight: 471.55416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)C5CC5

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)C5CC5

InChI

InChI=1S/C26H29N7O2/c1-26(2,3)35-25(34)28-15-10-17-4-6-19(7-5-17)30-24-29-16-21-23(32-24)33(20-8-9-20)22(31-21)18-11-13-27-14-12-18/h4-7,11-14,16,20H,8-10,15H2,1-3H3,(H,28,34)(H,29,30,32)