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

Systemtic Name: 8-[[(2R)-butan-2-yl]amino]-7-butyl-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-3-methyl-8-[[(1R)-1-methylpropyl]amino]purine-2,6-dione CAS Name: 8-[[(2R)-butan-2-yl]amino]-7-butyl-3-methylpurine-2,6-dione IUPAC Name: 8-[[(2R)-butan-2-yl]amino]-7-butyl-3-methylpurine-2,6-dione Traditional Name: 7-butyl-3-methyl-8-[[(1R)-1-methylpropyl]amino]xanthine Formula: C14H23N5O2 MolecularWeight: 293.36472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NC(C)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1N[C@H](C)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H23N5O2/c1-5-7-8-19-10-11(16-13(19)15-9(3)6-2)18(4)14(21)17-12(10)20/h9H,5-8H2,1-4H3,(H,15,16)(H,17,20,21)/t9-/m1/s1