1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide; 7H-purin-6-amine

Systemtic Name: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide; 7H-purin-6-amine Openeye Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide; 7H-purin-6-amine CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide; 7H-purin-6-amine IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide; 7H-purin-6-amine Traditional Name: 7H-adenine; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide Formula: C13H17N9O5 MolecularWeight: 379.33138

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)N.C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)N.C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N

InChI

InChI=1S/C8H12N4O5.C5H5N5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8;6-4-3-5(9-1-7-3)10-2-8-4/h2-5,8,13-15H,1H2,(H2,9,16);1-2H,(H3,6,7,8,9,10)/t3-,4-,5-,8-;/m1./s1