5-[2-azanyl-6-(cyclopropylamino)purin-9-yl]oxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-azanyl-6-(cyclopropylamino)purin-9-yl]oxy-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-amino-6-(cyclopropylamino)purin-9-yl]oxy-5-oxo-pentanoic acid CAS Name: 5-[[2-amino-6-(cyclopropylamino)-9-purinyl]oxy]-5-oxopentanoic acid IUPAC Name: 5-[2-amino-6-(cyclopropylamino)purin-9-yl]oxy-5-oxopentanoic acid Traditional Name: 5-[2-amino-6-(cyclopropylamino)purin-9-yl]oxy-5-keto-valeric acid Formula: C13H16N6O4 MolecularWeight: 320.30394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3OC(=O)CCCC(=O)O)N

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3OC(=O)CCCC(=O)O)N

InChI

InChI=1S/C13H16N6O4/c14-13-17-11(16-7-4-5-7)10-12(18-13)19(6-15-10)23-9(22)3-1-2-8(20)21/h6-7H,1-5H2,(H,20,21)(H3,14,16,17,18)