tert-butyl N-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]carbamate CAS Name: N-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]carbamate Traditional Name: N-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]carbamic acid tert-butyl ester Formula: C19H23N7O2 MolecularWeight: 381.43162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)NC2=NC3=C(C(=N2)NC4CC4)NC=N3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)NC2=NC3=C(C(=N2)NC4CC4)NC=N3

InChI

InChI=1S/C19H23N7O2/c1-19(2,3)28-18(27)24-13-8-6-12(7-9-13)23-17-25-15-14(20-10-21-15)16(26-17)22-11-4-5-11/h6-11H,4-5H2,1-3H3,(H,24,27)(H3,20,21,22,23,25,26)