4-[2-azanyl-6-(cyclopropylamino)purin-9-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-azanyl-6-(cyclopropylamino)purin-9-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-amino-6-(cyclopropylamino)purin-9-yl]oxy-4-oxo-butanoic acid CAS Name: 4-[[2-amino-6-(cyclopropylamino)-9-purinyl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[2-amino-6-(cyclopropylamino)purin-9-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[2-amino-6-(cyclopropylamino)purin-9-yl]oxy-4-keto-butyric acid Formula: C12H14N6O4 MolecularWeight: 306.27736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N6O4/c13-12-16-10(15-6-1-2-6)9-11(17-12)18(5-14-9)22-8(21)4-3-7(19)20/h5-6H,1-4H2,(H,19,20)(H3,13,15,16,17)