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

Systemtic Name: 8-[[(2R)-butan-2-yl]amino]-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-[[(1R)-1-methylpropyl]amino]-7-pentyl-purine-2,6-dione CAS Name: 8-[[(2R)-butan-2-yl]amino]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[[(2R)-butan-2-yl]amino]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-[[(1R)-1-methylpropyl]amino]xanthine Formula: C15H25N5O2 MolecularWeight: 307.3913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1NC(C)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N[C@H](C)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H25N5O2/c1-5-7-8-9-20-11-12(17-14(20)16-10(3)6-2)19(4)15(22)18-13(11)21/h10H,5-9H2,1-4H3,(H,16,17)(H,18,21,22)/t10-/m1/s1