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

Systemtic Name: tert-butyl N-[[4-[(9-cyclopropyl-8-pyridin-4-yl-purin-2-yl)amino]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[[9-cyclopropyl-8-(4-pyridyl)purin-2-yl]amino]phenyl]methyl]carbamate CAS Name: N-[[4-[(9-cyclopropyl-8-pyridin-4-yl-2-purinyl)amino]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(9-cyclopropyl-8-pyridin-4-ylpurin-2-yl)amino]phenyl]methyl]carbamate Traditional Name: N-[4-[[9-cyclopropyl-8-(4-pyridyl)purin-2-yl]amino]benzyl]carbamic acid tert-butyl ester Formula: C25H27N7O2 MolecularWeight: 457.52758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)C5CC5

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)C5CC5

InChI

InChI=1S/C25H27N7O2/c1-25(2,3)34-24(33)28-14-16-4-6-18(7-5-16)29-23-27-15-20-22(31-23)32(19-8-9-19)21(30-20)17-10-12-26-13-11-17/h4-7,10-13,15,19H,8-9,14H2,1-3H3,(H,28,33)(H,27,29,31)