2-azanyl-7-[oxidanyl(3-oxidanylpropoxy)methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-7-[oxidanyl(3-oxidanylpropoxy)methyl]-3H-purin-6-one Openeye Name: 2-amino-7-[hydroxy(3-hydroxypropoxy)methyl]-3H-purin-6-one CAS Name: 2-amino-7-[hydroxy(3-hydroxypropoxy)methyl]-3H-purin-6-one IUPAC Name: 2-amino-7-[hydroxy(3-hydroxypropoxy)methyl]-3H-purin-6-one Traditional Name: 2-amino-7-[hydroxy(3-hydroxypropoxy)methyl]-3H-purin-6-one Formula: C9H13N5O4 MolecularWeight: 255.23062

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C(O)OCCCO)C(=O)N=C(N2)N

Isomeric SMILES

C1=NC2=C(N1C(O)OCCCO)C(=O)N=C(N2)N

InChI

InChI=1S/C9H13N5O4/c10-8-12-6-5(7(16)13-8)14(4-11-6)9(17)18-3-1-2-15/h4,9,15,17H,1-3H2,(H3,10,12,13,16)