1-cyclopentyl-7-ethyl-3-phenyl-purine-2,6-dione

Systemtic Name: 1-cyclopentyl-7-ethyl-3-phenyl-purine-2,6-dione Openeye Name: 1-cyclopentyl-7-ethyl-3-phenyl-purine-2,6-dione CAS Name: 1-cyclopentyl-7-ethyl-3-phenylpurine-2,6-dione IUPAC Name: 1-cyclopentyl-7-ethyl-3-phenylpurine-2,6-dione Traditional Name: 1-cyclopentyl-7-ethyl-3-phenyl-xanthine Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4CCCC4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C18H20N4O2/c1-2-20-12-19-16-15(20)17(23)22(14-10-6-7-11-14)18(24)21(16)13-8-4-3-5-9-13/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3