8-azanyl-7-butan-2-yl-3-methyl-purine-2,6-dione

Systemtic Name: 8-azanyl-7-butan-2-yl-3-methyl-purine-2,6-dione Openeye Name: 8-amino-3-methyl-7-sec-butyl-purine-2,6-dione CAS Name: 8-amino-7-butan-2-yl-3-methylpurine-2,6-dione IUPAC Name: 8-amino-7-butan-2-yl-3-methylpurine-2,6-dione Traditional Name: 8-amino-3-methyl-7-sec-butyl-xanthine Formula: C10H15N5O2 MolecularWeight: 237.2584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N)N(C(=O)NC2=O)C

Isomeric SMILES

CCC(C)N1C2=C(N=C1N)N(C(=O)NC2=O)C

InChI

InChI=1S/C10H15N5O2/c1-4-5(2)15-6-7(12-9(15)11)14(3)10(17)13-8(6)16/h5H,4H2,1-3H3,(H2,11,12)(H,13,16,17)