(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (2S)-pyrrolidine-2-carboxamide; dihydrate

Systemtic Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (2S)-pyrrolidine-2-carboxamide; dihydrate Openeye Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; (2S)-pyrrolidine-2-carboxamide; dihydrate CAS Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (2S)-2-pyrrolidinecarboxamide; dihydrate IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (2S)-pyrrolidine-2-carboxamide; dihydrate Traditional Name: (2R,3R,4S,5R)-2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol; (2S)-pyrrolidine-2-carboxamide; dihydrate Formula: C15H27N7O7 MolecularWeight: 417.41758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.O.O

Isomeric SMILES

C1C[C@H](NC1)C(=O)N.C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O.O.O

InChI

InChI=1S/C10H13N5O4.C5H10N2O.2H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;6-5(8)4-2-1-3-7-4;;/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);4,7H,1-3H2,(H2,6,8);2*1H2/t4-,6-,7-,10-;4-;;/m10../s1