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

Systemtic Name: tert-butyl N-(6-chloranyl-9-phenyl-purin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate Openeye Name: tert-butyl N-tert-butoxycarbonyl-N-(6-chloro-9-phenyl-purin-2-yl)carbamate CAS Name: N-(6-chloro-9-phenyl-2-purinyl)-N-[(2-methylpropan-2-yl)oxy-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(6-chloro-9-phenylpurin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate Traditional Name: N-tert-butoxycarbonyl-N-(6-chloro-9-phenyl-purin-2-yl)carbamic acid tert-butyl ester Formula: C21H24ClN5O4 MolecularWeight: 445.89936

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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=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O4/c1-20(2,3)30-18(28)27(19(29)31-21(4,5)6)17-24-15(22)14-16(25-17)26(12-23-14)13-10-8-7-9-11-13/h7-12H,1-6H3