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

Systemtic Name: 8-[[(2S)-butan-2-yl]amino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[[(1S)-1-methylpropyl]amino]purine-2,6-dione CAS Name: 8-[[(2S)-butan-2-yl]amino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[[(2S)-butan-2-yl]amino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-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(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

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

InChI

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