(2S,3S,4R,5R)-N-ethyl-5-[6-[(3-nitrophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: (2S,3S,4R,5R)-N-ethyl-5-[6-[(3-nitrophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: (2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(3-nitrophenyl)methylamino]purin-9-yl]tetrahydrofuran-2-carboxamide CAS Name: (2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(3-nitrophenyl)methylamino]-9-purinyl]-2-oxolanecarboxamide IUPAC Name: (2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(3-nitrophenyl)methylamino]purin-9-yl]oxolane-2-carboxamide Traditional Name: (2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(3-nitrobenzyl)amino]purin-9-yl]tetrahydrofuran-2-carboxamide Formula: C19H21N7O6 MolecularWeight: 443.41334

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)[N+](=O)[O-])O)O

Isomeric SMILES

CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)[N+](=O)[O-])O)O

InChI

InChI=1S/C19H21N7O6/c1-2-20-18(29)15-13(27)14(28)19(32-15)25-9-24-12-16(22-8-23-17(12)25)21-7-10-4-3-5-11(6-10)26(30)31/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,20,29)(H,21,22,23)/t13-,14+,15-,19+/m0/s1