8-cyclopentyl-3-[3-[4-(2-hydroxyethyloxy)phenyl]propyl]-7-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-cyclopentyl-3-[3-[4-(2-hydroxyethyloxy)phenyl]propyl]-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-[3-[4-(2-hydroxyethoxy)phenyl]propyl]-1-propyl-purine-2,6-dione CAS Name: 8-cyclopentyl-3-[3-[4-(2-hydroxyethoxy)phenyl]propyl]-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-[3-[4-(2-hydroxyethoxy)phenyl]propyl]-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-[3-[4-(2-hydroxyethoxy)phenyl]propyl]-1-propyl-xanthine Formula: C31H38N4O4 MolecularWeight: 530.65782

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCC5=CC=C(C=C5)OCCO

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCC5=CC=C(C=C5)OCCO

InChI

InChI=1S/C31H38N4O4/c1-2-18-34-30(37)27-29(32-28(25-12-6-7-13-25)35(27)22-24-9-4-3-5-10-24)33(31(34)38)19-8-11-23-14-16-26(17-15-23)39-21-20-36/h3-5,9-10,14-17,25,36H,2,6-8,11-13,18-22H2,1H3