8-butyl-9-(2-hydroxyethyl)-1-methyl-3H-purine-2,6-dione

Systemtic Name: 8-butyl-9-(2-hydroxyethyl)-1-methyl-3H-purine-2,6-dione Openeye Name: 8-butyl-9-(2-hydroxyethyl)-1-methyl-3H-purine-2,6-dione CAS Name: 8-butyl-9-(2-hydroxyethyl)-1-methyl-3H-purine-2,6-dione IUPAC Name: 8-butyl-9-(2-hydroxyethyl)-1-methyl-3H-purine-2,6-dione Traditional Name: 8-butyl-9-(2-hydroxyethyl)-1-methyl-xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CCO)NC(=O)N(C2=O)C

Isomeric SMILES

CCCCC1=NC2=C(N1CCO)NC(=O)N(C2=O)C

InChI

InChI=1S/C12H18N4O3/c1-3-4-5-8-13-9-10(16(8)6-7-17)14-12(19)15(2)11(9)18/h17H,3-7H2,1-2H3,(H,14,19)