2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 7H-purin-6-amine

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 7H-purin-6-amine Openeye Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 7H-purin-6-amine CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 7H-purin-6-amine IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 7H-purin-6-amine Traditional Name: 7H-adenine; 2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol Formula: C25H31N15O8 MolecularWeight: 669.60934

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)N.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)N.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/2C10H13N5O4.C5H5N5/c2*11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;6-4-3-5(9-1-7-3)10-2-8-4/h2*2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1-2H,(H3,6,7,8,9,10)