3-butyl-7-cyclopentyl-purine-2,6-dione

Systemtic Name: 3-butyl-7-cyclopentyl-purine-2,6-dione Openeye Name: 3-butyl-7-cyclopentyl-purine-2,6-dione CAS Name: 3-butyl-7-cyclopentylpurine-2,6-dione IUPAC Name: 3-butyl-7-cyclopentylpurine-2,6-dione Traditional Name: 3-butyl-7-cyclopentyl-xanthine Formula: C14H20N4O2 MolecularWeight: 276.3342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)C3CCCC3

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)C3CCCC3

InChI

InChI=1S/C14H20N4O2/c1-2-3-8-17-12-11(13(19)16-14(17)20)18(9-15-12)10-6-4-5-7-10/h9-10H,2-8H2,1H3,(H,16,19,20)