7-butan-2-yl-8-methoxy-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-butan-2-yl-8-methoxy-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-methoxy-1,3-dimethyl-7-sec-butyl-purine-2,6-dione CAS Name: 7-butan-2-yl-8-methoxy-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butan-2-yl-8-methoxy-1,3-dimethylpurine-2,6-dione Traditional Name: 8-methoxy-1,3-dimethyl-7-sec-butyl-xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCC(C)N1C2=C(N=C1OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H18N4O3/c1-6-7(2)16-8-9(13-11(16)19-5)14(3)12(18)15(4)10(8)17/h7H,6H2,1-5H3