tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[7-(4-nitrophenyl)purin-6-yl]carbamate

Systemtic Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[7-(4-nitrophenyl)purin-6-yl]carbamate Openeye Name: tert-butyl N-tert-butoxycarbonyl-N-[7-(4-nitrophenyl)purin-6-yl]carbamate CAS Name: N-[(2-methylpropan-2-yl)oxy-oxomethyl]-N-[7-(4-nitrophenyl)-6-purinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[7-(4-nitrophenyl)purin-6-yl]carbamate Traditional Name: N-tert-butoxycarbonyl-N-[7-(4-nitrophenyl)purin-6-yl]carbamic acid tert-butyl ester Formula: C21H24N6O6 MolecularWeight: 456.45186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=NC=NC2=C1N(C=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=NC=NC2=C1N(C=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C21H24N6O6/c1-20(2,3)32-18(28)26(19(29)33-21(4,5)6)17-15-16(22-11-23-17)24-12-25(15)13-7-9-14(10-8-13)27(30)31/h7-12H,1-6H3