3-methyl-8-(2-methylpropylamino)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-methylpropylamino)-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(isobutylamino)-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-(2-methylpropylamino)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 3-methyl-8-(2-methylpropylamino)-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(isobutylamino)-7-isopropyl-3-methyl-xanthine Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CNC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H21N5O2/c1-7(2)6-14-12-15-10-9(18(12)8(3)4)11(19)16-13(20)17(10)5/h7-8H,6H2,1-5H3,(H,14,15)(H,16,19,20)