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

Systemtic Name: 8-(cyclopentylamino)-7-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(cyclopentylamino)-3-isobutyl-7-[(4-methoxyphenyl)methyl]-1-methyl-purine-2,6-dione CAS Name: 8-(cyclopentylamino)-7-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(cyclopentylamino)-7-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(cyclopentylamino)-3-isobutyl-1-methyl-7-p-anisyl-xanthine Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H31N5O3/c1-15(2)13-28-20-19(21(29)26(3)23(28)30)27(14-16-9-11-18(31-4)12-10-16)22(25-20)24-17-7-5-6-8-17/h9-12,15,17H,5-8,13-14H2,1-4H3,(H,24,25)