8-[[(2S)-butan-2-yl]amino]-3-methyl-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione

Systemtic Name: 8-[[(2S)-butan-2-yl]amino]-3-methyl-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-[[(1S)-1-methylpropyl]amino]purine-2,6-dione CAS Name: 8-[[(2S)-butan-2-yl]amino]-7-[(2S)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[[(2S)-butan-2-yl]amino]-7-[(2S)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-[[(1S)-1-methylpropyl]amino]xanthine Formula: C13H21N5O3 MolecularWeight: 295.33754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC1=NC2=C(N1C[C@H](C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H21N5O3/c1-5-7(2)14-12-15-10-9(18(12)6-8(3)19)11(20)16-13(21)17(10)4/h7-8,19H,5-6H2,1-4H3,(H,14,15)(H,16,20,21)/t7-,8-/m0/s1