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

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one; butanedioic acid Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one; succinic acid CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one; butanedioic acid IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; butanedioic acid Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one; succinic acid Formula: C14H19N5O9 MolecularWeight: 401.32876

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N.C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C10H13N5O5.C4H6O4/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9;5-3(6)1-2-4(7)8/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19);1-2H2,(H,5,6)(H,7,8)