(4-aminophenyl)carbonyl-bis[(2-methylpropan-2-yl)oxycarbonyl]-(7H-purin-6-yl)azanium

Systemtic Name: (4-aminophenyl)carbonyl-bis[(2-methylpropan-2-yl)oxycarbonyl]-(7H-purin-6-yl)azanium Openeye Name: (4-aminobenzoyl)-bis(tert-butoxycarbonyl)-(7H-purin-6-yl)ammonium CAS Name: [(4-aminophenyl)-oxomethyl]-bis[(2-methylpropan-2-yl)oxy-oxomethyl]-(7H-purin-6-yl)ammonium IUPAC Name: (4-aminobenzoyl)-bis[(2-methylpropan-2-yl)oxycarbonyl]-(7H-purin-6-yl)azanium Traditional Name: (4-aminobenzoyl)-bis(tert-butoxycarbonyl)-(7H-purin-6-yl)ammonium Formula: C22H27N6O5+ MolecularWeight: 455.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+](C1=NC=NC2=C1NC=N2)(C(=O)C3=CC=C(C=C3)N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[N+](C1=NC=NC2=C1NC=N2)(C(=O)C3=CC=C(C=C3)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H26N6O5/c1-21(2,3)32-19(30)28(20(31)33-22(4,5)6,18(29)13-7-9-14(23)10-8-13)17-15-16(25-11-24-15)26-12-27-17/h7-12H,1-6H3,(H2-,23,24,25,26,27,29)/p+1