2-[3-methyl-2,6-bis(oxidanylidene)-8-(1-phenylethylamino)purin-7-yl]ethanoic acid

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-8-(1-phenylethylamino)purin-7-yl]ethanoic acid Openeye Name: 2-[3-methyl-2,6-dioxo-8-(1-phenylethylamino)purin-7-yl]acetic acid CAS Name: 2-[3-methyl-2,6-dioxo-8-(1-phenylethylamino)-7-purinyl]acetic acid IUPAC Name: 2-[3-methyl-2,6-dioxo-8-(1-phenylethylamino)purin-7-yl]acetic acid Traditional Name: 2-[2,6-diketo-3-methyl-8-(1-phenylethylamino)purin-7-yl]acetic acid Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC3=C(N2CC(=O)O)C(=O)NC(=O)N3C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC3=C(N2CC(=O)O)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H17N5O4/c1-9(10-6-4-3-5-7-10)17-15-18-13-12(21(15)8-11(22)23)14(24)19-16(25)20(13)2/h3-7,9H,8H2,1-2H3,(H,17,18)(H,22,23)(H,19,24,25)