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

Systemtic Name: 2-azanyl-9-[2,3-bis(oxidanyl)propoxymethyl]-7,8-dihydro-3H-purin-6-one hydrate Openeye Name: 2-amino-9-(2,3-dihydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one hydrate CAS Name: 2-amino-9-(2,3-dihydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one hydrate IUPAC Name: 2-amino-9-(2,3-dihydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one hydrate Traditional Name: 2-amino-9-(glyceryloxymethyl)-7,8-dihydro-3H-purin-6-one hydrate Formula: C9H17N5O5 MolecularWeight: 275.26178

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1COCC(CO)O)NC(=NC2=O)N.O

Isomeric SMILES

C1NC2=C(N1COCC(CO)O)NC(=NC2=O)N.O

InChI

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