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

Systemtic Name: 8-cyclopentyl-3-(2-hydroxyethyl)-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-(2-hydroxyethyl)-1-propyl-purine-2,6-dione CAS Name: 8-cyclopentyl-3-(2-hydroxyethyl)-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-(2-hydroxyethyl)-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-(2-hydroxyethyl)-1-propyl-xanthine Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-2-12-25-21(28)18-20(24(13-14-27)22(25)29)23-19(17-10-6-7-11-17)26(18)15-16-8-4-3-5-9-16/h3-5,8-9,17,27H,2,6-7,10-15H2,1H3