2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one; 7H-purine

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one; 7H-purine Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one; 7H-purine CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one; 7H-purine IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; 7H-purine Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one; 7H-purine Formula: C15H17N9O5 MolecularWeight: 403.35278

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC=N1)N=CN2.C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=C2C(=NC=N1)N=CN2.C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H13N5O5.C5H4N4/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9;1-4-5(8-2-6-1)9-3-7-4/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19);1-3H,(H,6,7,8,9)