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

Systemtic Name: 2-azanyl-9-[1,3-bis(oxidanyl)propoxy]-8-methyl-3H-purin-6-one Openeye Name: 2-amino-9-(1,3-dihydroxypropoxy)-8-methyl-3H-purin-6-one CAS Name: 2-amino-9-(1,3-dihydroxypropoxy)-8-methyl-3H-purin-6-one IUPAC Name: 2-amino-9-(1,3-dihydroxypropoxy)-8-methyl-3H-purin-6-one Traditional Name: 2-amino-9-(1,3-dihydroxypropoxy)-8-methyl-3H-purin-6-one Formula: C9H13N5O4 MolecularWeight: 255.23062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1OC(CCO)O)NC(=NC2=O)N

Isomeric SMILES

CC1=NC2=C(N1OC(CCO)O)NC(=NC2=O)N

InChI

InChI=1S/C9H13N5O4/c1-4-11-6-7(12-9(10)13-8(6)17)14(4)18-5(16)2-3-15/h5,15-16H,2-3H2,1H3,(H3,10,12,13,17)