8-cyclopentyl-3-(3-oxidanylbutyl)-7-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-cyclopentyl-3-(3-oxidanylbutyl)-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-(3-hydroxybutyl)-1-propyl-purine-2,6-dione CAS Name: 8-cyclopentyl-3-(3-hydroxybutyl)-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-(3-hydroxybutyl)-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-(3-hydroxybutyl)-1-propyl-xanthine Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCC(C)O

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCC(C)O

InChI

InChI=1S/C24H32N4O3/c1-3-14-27-23(30)20-22(26(24(27)31)15-13-17(2)29)25-21(19-11-7-8-12-19)28(20)16-18-9-5-4-6-10-18/h4-6,9-10,17,19,29H,3,7-8,11-16H2,1-2H3