3-butyl-1-ethyl-8-methyl-7H-purine-2,6-dione

Systemtic Name: 3-butyl-1-ethyl-8-methyl-7H-purine-2,6-dione Openeye Name: 3-butyl-1-ethyl-8-methyl-7H-purine-2,6-dione CAS Name: 3-butyl-1-ethyl-8-methyl-7H-purine-2,6-dione IUPAC Name: 3-butyl-1-ethyl-8-methyl-7H-purine-2,6-dione Traditional Name: 3-butyl-1-ethyl-8-methyl-7H-purine-2,6-quinone Formula: C12H18N4O2 MolecularWeight: 250.29692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C

InChI

InChI=1S/C12H18N4O2/c1-4-6-7-16-10-9(13-8(3)14-10)11(17)15(5-2)12(16)18/h4-7H2,1-3H3,(H,13,14)