2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 7H-purine

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 7H-purine Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 7H-purine CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 7H-purine IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 7H-purine Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 7H-purine Formula: C13H15N9O3 MolecularWeight: 345.3167

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC=N1)N=CN2.C1=NC2=C(N1COCCO)NC(=NC2=O)N

Isomeric SMILES

C1=C2C(=NC=N1)N=CN2.C1=NC2=C(N1COCCO)NC(=NC2=O)N

InChI

InChI=1S/C8H11N5O3.C5H4N4/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;1-4-5(8-2-6-1)9-3-7-4/h3,14H,1-2,4H2,(H3,9,11,12,15);1-3H,(H,6,7,8,9)