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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CCC

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CCC

InChI

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