8-heptan-2-yl-1-propyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-heptan-2-yl-1-propyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-(1-methylhexyl)-1-propyl-3,7-dihydropurine-2,6-dione CAS Name: 8-heptan-2-yl-1-propyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-heptan-2-yl-1-propyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-(1-methylhexyl)-1-propyl-7H-xanthine Formula: C15H24N4O2 MolecularWeight: 292.37666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=NC2=C(N1)C(=O)N(C(=O)N2)CCC

Isomeric SMILES

CCCCCC(C)C1=NC2=C(N1)C(=O)N(C(=O)N2)CCC

InChI

InChI=1S/C15H24N4O2/c1-4-6-7-8-10(3)12-16-11-13(17-12)18-15(21)19(9-5-2)14(11)20/h10H,4-9H2,1-3H3,(H,16,17)(H,18,21)