8-(cyclopentylamino)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(cyclopentylamino)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(cyclopentylamino)-1-ethyl-3-isobutyl-7-[(4-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 8-(cyclopentylamino)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(cyclopentylamino)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(cyclopentylamino)-1-ethyl-3-isobutyl-7-p-anisyl-xanthine Formula: C24H33N5O3 MolecularWeight: 439.55052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)NC4CCCC4)N(C1=O)CC(C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)NC4CCCC4)N(C1=O)CC(C)C

InChI

InChI=1S/C24H33N5O3/c1-5-27-22(30)20-21(29(24(27)31)14-16(2)3)26-23(25-18-8-6-7-9-18)28(20)15-17-10-12-19(32-4)13-11-17/h10-13,16,18H,5-9,14-15H2,1-4H3,(H,25,26)