5-[6-azanyl-1-[(2-nitrophenyl)methyl]purin-1-ium-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: 5-[6-azanyl-1-[(2-nitrophenyl)methyl]purin-1-ium-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[6-amino-1-[(2-nitrophenyl)methyl]purin-1-ium-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[6-amino-1-[(2-nitrophenyl)methyl]-9-purin-1-iumyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[6-amino-1-[(2-nitrophenyl)methyl]purin-1-ium-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[6-amino-1-(2-nitrobenzyl)purin-1-ium-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C19H22N7O6+ MolecularWeight: 444.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C[N+](=C3N)CC4=CC=CC=C4[N+](=O)[O-])O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C[N+](=C3N)CC4=CC=CC=C4[N+](=O)[O-])O)O

InChI

InChI=1S/C19H21N7O6/c1-2-21-18(29)15-13(27)14(28)19(32-15)25-9-22-12-16(20)24(8-23-17(12)25)7-10-5-3-4-6-11(10)26(30)31/h3-6,8-9,13-15,19-20,27-28H,2,7H2,1H3,(H,21,29)/p+1