9-butyl-1-methyl-8-propyl-3H-purine-2,6-dione

Systemtic Name: 9-butyl-1-methyl-8-propyl-3H-purine-2,6-dione Openeye Name: 9-butyl-1-methyl-8-propyl-3H-purine-2,6-dione CAS Name: 9-butyl-1-methyl-8-propyl-3H-purine-2,6-dione IUPAC Name: 9-butyl-1-methyl-8-propyl-3H-purine-2,6-dione Traditional Name: 9-butyl-1-methyl-8-propyl-xanthine Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1NC(=O)N(C2=O)C)CCC

Isomeric SMILES

CCCCN1C(=NC2=C1NC(=O)N(C2=O)C)CCC

InChI

InChI=1S/C13H20N4O2/c1-4-6-8-17-9(7-5-2)14-10-11(17)15-13(19)16(3)12(10)18/h4-8H2,1-3H3,(H,15,19)