2-azanyl-9-(2-azanylethoxymethyl)-7,8-dihydro-3H-purin-6-one ethanoate hydrate

Systemtic Name: 2-azanyl-9-(2-azanylethoxymethyl)-7,8-dihydro-3H-purin-6-one ethanoate hydrate Openeye Name: 2-amino-9-(2-aminoethoxymethyl)-7,8-dihydro-3H-purin-6-one acetate hydrate CAS Name: 2-amino-9-(2-aminoethoxymethyl)-7,8-dihydro-3H-purin-6-one acetate hydrate IUPAC Name: 2-amino-9-(2-aminoethoxymethyl)-7,8-dihydro-3H-purin-6-one acetate hydrate Traditional Name: 2-amino-9-(2-aminoethoxymethyl)-7,8-dihydro-3H-purin-6-one acetate hydrate Formula: C10H19N6O5- MolecularWeight: 303.29506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1NC2=C(N1COCCN)NC(=NC2=O)N.O

Isomeric SMILES

CC(=O)[O-].C1NC2=C(N1COCCN)NC(=NC2=O)N.O

InChI

InChI=1S/C8H14N6O2.C2H4O2.H2O/c9-1-2-16-4-14-3-11-5-6(14)12-8(10)13-7(5)15;1-2(3)4;/h11H,1-4,9H2,(H3,10,12,13,15);1H3,(H,3,4);1H2/p-1