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

Systemtic Name: 2,8-bis(azanyl)-9-[1,3-bis(oxidanyl)propoxymethyl]-3H-purin-6-one Openeye Name: 2,8-diamino-9-(1,3-dihydroxypropoxymethyl)-3H-purin-6-one CAS Name: 2,8-diamino-9-(1,3-dihydroxypropoxymethyl)-3H-purin-6-one IUPAC Name: 2,8-diamino-9-(1,3-dihydroxypropoxymethyl)-3H-purin-6-one Traditional Name: 2,8-diamino-9-(1,3-dihydroxypropoxymethyl)-3H-purin-6-one Formula: C9H14N6O4 MolecularWeight: 270.24526

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)C(O)OCN1C2=C(C(=O)N=C(N2)N)N=C1N

Isomeric SMILES

C(CO)C(O)OCN1C2=C(C(=O)N=C(N2)N)N=C1N

InChI

InChI=1S/C9H14N6O4/c10-8-13-6-5(7(18)14-8)12-9(11)15(6)3-19-4(17)1-2-16/h4,16-17H,1-3H2,(H2,11,12)(H3,10,13,14,18)