9-(2-hydroxyethyloxymethyl)-2-(methylamino)-7,8-dihydro-3H-purin-6-one dihydrate

Systemtic Name: 9-(2-hydroxyethyloxymethyl)-2-(methylamino)-7,8-dihydro-3H-purin-6-one dihydrate Openeye Name: 9-(2-hydroxyethoxymethyl)-2-(methylamino)-7,8-dihydro-3H-purin-6-one dihydrate CAS Name: 9-(2-hydroxyethoxymethyl)-2-(methylamino)-7,8-dihydro-3H-purin-6-one dihydrate IUPAC Name: 9-(2-hydroxyethoxymethyl)-2-(methylamino)-7,8-dihydro-3H-purin-6-one dihydrate Traditional Name: 9-(2-hydroxyethoxymethyl)-2-(methylamino)-7,8-dihydro-3H-purin-6-one dihydrate Formula: C9H19N5O5 MolecularWeight: 277.27766

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=O)C2=C(N1)N(CN2)COCCO.O.O

Isomeric SMILES

CNC1=NC(=O)C2=C(N1)N(CN2)COCCO.O.O

InChI

InChI=1S/C9H15N5O3.2H2O/c1-10-9-12-7-6(8(16)13-9)11-4-14(7)5-17-3-2-15;;/h11,15H,2-5H2,1H3,(H2,10,12,13,16);2*1H2