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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(1-phenylethylamino)purin-7-yl]ethanoic acid Openeye Name: 2-[1,3-dimethyl-2,6-dioxo-8-(1-phenylethylamino)purin-7-yl]acetic acid CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(1-phenylethylamino)-7-purinyl]acetic acid IUPAC Name: 2-[1,3-dimethyl-2,6-dioxo-8-(1-phenylethylamino)purin-7-yl]acetic acid Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-(1-phenylethylamino)purin-7-yl]acetic acid Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4/c1-10(11-7-5-4-6-8-11)18-16-19-14-13(22(16)9-12(23)24)15(25)21(3)17(26)20(14)2/h4-8,10H,9H2,1-3H3,(H,18,19)(H,23,24)