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

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(cyclohexylamino)-1-ethyl-3-isobutyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(cyclohexylamino)-1-ethyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-benzyl-8-(cyclohexylamino)-1-ethyl-3-isobutyl-xanthine Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)NC4CCCCC4)N(C1=O)CC(C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)NC4CCCCC4)N(C1=O)CC(C)C

InChI

InChI=1S/C24H33N5O2/c1-4-27-22(30)20-21(29(24(27)31)15-17(2)3)26-23(25-19-13-9-6-10-14-19)28(20)16-18-11-7-5-8-12-18/h5,7-8,11-12,17,19H,4,6,9-10,13-16H2,1-3H3,(H,25,26)