tert-butyl N-[9-(4-bromophenyl)-6-chloranyl-purin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Systemtic Name: tert-butyl N-[9-(4-bromophenyl)-6-chloranyl-purin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate Openeye Name: tert-butyl N-[9-(4-bromophenyl)-6-chloro-purin-2-yl]-N-tert-butoxycarbonyl-carbamate CAS Name: N-[9-(4-bromophenyl)-6-chloro-2-purinyl]-N-[(2-methylpropan-2-yl)oxy-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[9-(4-bromophenyl)-6-chloropurin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate Traditional Name: N-[9-(4-bromophenyl)-6-chloro-purin-2-yl]-N-tert-butoxycarbonyl-carbamic acid tert-butyl ester Formula: C21H23BrClN5O4 MolecularWeight: 524.79542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=NC2=C(C(=N1)Cl)N=CN2C3=CC=C(C=C3)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=NC2=C(C(=N1)Cl)N=CN2C3=CC=C(C=C3)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H23BrClN5O4/c1-20(2,3)31-18(29)28(19(30)32-21(4,5)6)17-25-15(23)14-16(26-17)27(11-24-14)13-9-7-12(22)8-10-13/h7-11H,1-6H3