7-butyl-1-methyl-3-propyl-purine-2,6-dione

Systemtic Name: 7-butyl-1-methyl-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-1-methyl-3-propyl-purine-2,6-dione CAS Name: 7-butyl-1-methyl-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-1-methyl-3-propylpurine-2,6-dione Traditional Name: 7-butyl-1-methyl-3-propyl-xanthine Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)C

InChI

InChI=1S/C13H20N4O2/c1-4-6-8-16-9-14-11-10(16)12(18)15(3)13(19)17(11)7-5-2/h9H,4-8H2,1-3H3