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2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one dihydrate

2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one dihydrate

Systemtic Name:2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one dihydrate
Openeye Name:2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one dihydrate
CAS Name:2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one dihydrate
IUPAC Name:2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one dihydrate
Traditional Name:2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one dihydrate
Formula: C24H37N15O11
MolecularWeight: 711.64448
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/3C8H11N5O3.2H2O/c3*9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;;/h3*3,14H,1-2,4H2,(H3,9,11,12,15);2*1H2


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