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

Systemtic Name: 8-[[(2S)-butan-2-yl]amino]-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-[[(1S)-1-methylpropyl]amino]purine-2,6-dione CAS Name: 8-[[(2S)-butan-2-yl]amino]-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-[[(2S)-butan-2-yl]amino]-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-[[(1S)-1-methylpropyl]amino]xanthine Formula: C12H19N5O2 MolecularWeight: 265.31156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N5O2/c1-5-7(3)13-11-14-9-8(17(11)6-2)10(18)15-12(19)16(9)4/h7H,5-6H2,1-4H3,(H,13,14)(H,15,18,19)/t7-/m0/s1