2-azanyl-4-(2-azanyl-6-phenylmethoxy-purin-9-yl)-3-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-(2-azanyl-6-phenylmethoxy-purin-9-yl)-3-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-(2-amino-6-benzyloxy-purin-9-yl)-3-oxo-butanoic acid CAS Name: 2-amino-4-(2-amino-6-phenylmethoxy-9-purinyl)-3-oxobutanoic acid IUPAC Name: 2-amino-4-(2-amino-6-phenylmethoxypurin-9-yl)-3-oxobutanoic acid Traditional Name: 2-amino-4-(2-amino-6-benzoxy-purin-9-yl)-3-keto-butyric acid Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC(=NC3=C2N=CN3CC(=O)C(C(=O)O)N)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC(=NC3=C2N=CN3CC(=O)C(C(=O)O)N)N

InChI

InChI=1S/C16H16N6O4/c17-11(15(24)25)10(23)6-22-8-19-12-13(22)20-16(18)21-14(12)26-7-9-4-2-1-3-5-9/h1-5,8,11H,6-7,17H2,(H,24,25)(H2,18,20,21)