(2S,3S,4R,5R)-5-[2-[4-(cyclopentylmethyl)-1,2,3-triazol-1-yl]-6-(methylamino)purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: (2S,3S,4R,5R)-5-[2-[4-(cyclopentylmethyl)-1,2,3-triazol-1-yl]-6-(methylamino)purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: (2S,3S,4R,5R)-5-[2-[4-(cyclopentylmethyl)triazol-1-yl]-6-(methylamino)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: (2S,3S,4R,5R)-5-[2-[4-(cyclopentylmethyl)-1-triazolyl]-6-(methylamino)-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: (2S,3S,4R,5R)-5-[2-[4-(cyclopentylmethyl)triazol-1-yl]-6-(methylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: (2S,3S,4R,5R)-5-[2-[4-(cyclopentylmethyl)triazol-1-yl]-6-(methylamino)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C21H29N9O4 MolecularWeight: 471.51286

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NC)N4C=C(N=N4)CC5CCCC5)O)O

Isomeric SMILES

CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3NC)N4C=C(N=N4)CC5CCCC5)O)O

InChI

InChI=1S/C21H29N9O4/c1-3-23-19(33)16-14(31)15(32)20(34-16)29-10-24-13-17(22-2)25-21(26-18(13)29)30-9-12(27-28-30)8-11-6-4-5-7-11/h9-11,14-16,20,31-32H,3-8H2,1-2H3,(H,23,33)(H,22,25,26)/t14-,15+,16-,20+/m0/s1