8-[[(2S)-butan-2-yl]amino]-7-ethyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[[(2S)-butan-2-yl]amino]-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-[[(1S)-1-methylpropyl]amino]purine-2,6-dione CAS Name: 8-[[(2S)-butan-2-yl]amino]-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[(2S)-butan-2-yl]amino]-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-[[(1S)-1-methylpropyl]amino]xanthine Formula: C13H21N5O2 MolecularWeight: 279.33814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(N1CC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[C@H](C)NC1=NC2=C(N1CC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H21N5O2/c1-6-8(3)14-12-15-10-9(18(12)7-2)11(19)17(5)13(20)16(10)4/h8H,6-7H2,1-5H3,(H,14,15)/t8-/m0/s1