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

Systemtic Name: 2-[1,3-dimethyl-8-(2-methylpropylamino)-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid Openeye Name: 2-[8-(isobutylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetic acid CAS Name: 2-[1,3-dimethyl-8-(2-methylpropylamino)-2,6-dioxo-7-purinyl]acetic acid IUPAC Name: 2-[1,3-dimethyl-8-(2-methylpropylamino)-2,6-dioxopurin-7-yl]acetic acid Traditional Name: 2-[8-(isobutylamino)-2,6-diketo-1,3-dimethyl-purin-7-yl]acetic acid Formula: C13H19N5O4 MolecularWeight: 309.32106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1CC(=O)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CNC1=NC2=C(N1CC(=O)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H19N5O4/c1-7(2)5-14-12-15-10-9(18(12)6-8(19)20)11(21)17(4)13(22)16(10)3/h7H,5-6H2,1-4H3,(H,14,15)(H,19,20)