2-azanyl-9-[1,3-bis(oxidanyl)propoxymethyl]-7,8-dihydro-3H-purin-6-one dihydrate

Systemtic Name: 2-azanyl-9-[1,3-bis(oxidanyl)propoxymethyl]-7,8-dihydro-3H-purin-6-one dihydrate Openeye Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one dihydrate CAS Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one dihydrate IUPAC Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one dihydrate Traditional Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one dihydrate Formula: C9H19N5O6 MolecularWeight: 293.27706

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1COC(CCO)O)NC(=NC2=O)N.O.O

Isomeric SMILES

C1NC2=C(N1COC(CCO)O)NC(=NC2=O)N.O.O

InChI

InChI=1S/C9H15N5O4.2H2O/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(16)1-2-15;;/h5,11,15-16H,1-4H2,(H3,10,12,13,17);2*1H2