8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-1-propyl-7H-purine-2,6-dione

Systemtic Name: 8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-1-propyl-7H-purine-2,6-dione Openeye Name: 8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-1-propyl-7H-purine-2,6-dione CAS Name: 8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-1-propyl-7H-purine-2,6-dione Traditional Name: 8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-1-propyl-7H-purine-2,6-quinone Formula: C22H28N4O3 MolecularWeight: 396.48272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC=C(C=C4)OC

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H28N4O3/c1-3-13-26-21(27)18-20(24-19(23-18)16-6-4-5-7-16)25(22(26)28)14-12-15-8-10-17(29-2)11-9-15/h8-11,16H,3-7,12-14H2,1-2H3,(H,23,24)