2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; butanedioic acid

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; butanedioic acid Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; succinic acid CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; butanedioic acid IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; butanedioic acid Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; succinic acid Formula: C12H17N5O7 MolecularWeight: 343.29268

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCO)NC(=NC2=O)N.C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=NC2=C(N1COCCO)NC(=NC2=O)N.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C8H11N5O3.C4H6O4/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;5-3(6)1-2-4(7)8/h3,14H,1-2,4H2,(H3,9,11,12,15);1-2H2,(H,5,6)(H,7,8)