3-butyl-7-cyclopentyl-1-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-cyclopentyl-1-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 3-butyl-7-cyclopentyl-1-(2-hydroxy-3-phenoxy-propyl)purine-2,6-dione CAS Name: 3-butyl-7-cyclopentyl-1-(2-hydroxy-3-phenoxypropyl)purine-2,6-dione IUPAC Name: 3-butyl-7-cyclopentyl-1-(2-hydroxy-3-phenoxypropyl)purine-2,6-dione Traditional Name: 3-butyl-7-cyclopentyl-1-(2-hydroxy-3-phenoxy-propyl)xanthine Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(COC3=CC=CC=C3)O)N(C=N2)C4CCCC4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(COC3=CC=CC=C3)O)N(C=N2)C4CCCC4

InChI

InChI=1S/C23H30N4O4/c1-2-3-13-25-21-20(27(16-24-21)17-9-7-8-10-17)22(29)26(23(25)30)14-18(28)15-31-19-11-5-4-6-12-19/h4-6,11-12,16-18,28H,2-3,7-10,13-15H2,1H3