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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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