8-(cyclopentylamino)-1-ethyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(cyclopentylamino)-1-ethyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(cyclopentylamino)-1-ethyl-3-isobutyl-purine-2,6-dione CAS Name: 8-(cyclopentylamino)-1-ethyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(cyclopentylamino)-1-ethyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-benzyl-8-(cyclopentylamino)-1-ethyl-3-isobutyl-xanthine Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O2/c1-4-26-21(29)19-20(28(23(26)30)14-16(2)3)25-22(24-18-12-8-9-13-18)27(19)15-17-10-6-5-7-11-17/h5-7,10-11,16,18H,4,8-9,12-15H2,1-3H3,(H,24,25)