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

Systemtic Name: 2-azanyl-9-[oxidanyl(3-oxidanylpropoxy)methyl]-7,8-dihydro-3H-purin-6-one hydrate Openeye Name: 2-amino-9-[hydroxy(3-hydroxypropoxy)methyl]-7,8-dihydro-3H-purin-6-one hydrate CAS Name: 2-amino-9-[hydroxy(3-hydroxypropoxy)methyl]-7,8-dihydro-3H-purin-6-one hydrate IUPAC Name: 2-amino-9-[hydroxy(3-hydroxypropoxy)methyl]-7,8-dihydro-3H-purin-6-one hydrate Traditional Name: 2-amino-9-[hydroxy(3-hydroxypropoxy)methyl]-7,8-dihydro-3H-purin-6-one hydrate Formula: C9H17N5O5 MolecularWeight: 275.26178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1C(O)OCCCO)NC(=NC2=O)N.O

Isomeric SMILES

C1NC2=C(N1C(O)OCCCO)NC(=NC2=O)N.O

InChI

InChI=1S/C9H15N5O4.H2O/c10-8-12-6-5(7(16)13-8)11-4-14(6)9(17)18-3-1-2-15;/h9,11,15,17H,1-4H2,(H3,10,12,13,16);1H2