(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-N-propyl-oxolane-2-carboxamide

Systemtic Name: (2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-N-propyl-oxolane-2-carboxamide Openeye Name: (2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propyl-tetrahydrofuran-2-carboxamide CAS Name: (2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propyl-2-oxolanecarboxamide IUPAC Name: (2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propyloxolane-2-carboxamide Traditional Name: (2S,4S,5R)-5-adenin-9-yl-3,4-dihydroxy-N-propyl-tetrahydrofuran-2-carboxamide Formula: C13H18N6O4 MolecularWeight: 322.31982

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CCCNC(=O)[C@@H]1C([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C13H18N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h4-5,7-9,13,20-21H,2-3H2,1H3,(H,15,22)(H2,14,16,17)/t7?,8-,9-,13+/m0/s1