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

Systemtic Name: 8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-1-propyl-7H-purine-2,6-dione Openeye Name: 8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-1-propyl-7H-purine-2,6-dione CAS Name: 8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-1-propyl-7H-purine-2,6-dione Traditional Name: 8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-1-propyl-7H-purine-2,6-quinone Formula: C23H30N4O3 MolecularWeight: 410.5093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCCC4=CC=C(C=C4)OC

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCCC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H30N4O3/c1-3-14-27-22(28)19-21(25-20(24-19)17-8-4-5-9-17)26(23(27)29)15-6-7-16-10-12-18(30-2)13-11-16/h10-13,17H,3-9,14-15H2,1-2H3,(H,24,25)