8-bromanyl-7-(2-cyclohexyl-2-oxidanylidene-ethyl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-(2-cyclohexyl-2-oxidanylidene-ethyl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-bromo-7-(2-cyclohexyl-2-oxo-ethyl)-1-propyl-purine-2,6-dione CAS Name: 8-bromo-7-(2-cyclohexyl-2-oxoethyl)-3-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-bromo-7-(2-cyclohexyl-2-oxoethyl)-1-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-bromo-7-(2-cyclohexyl-2-keto-ethyl)-1-propyl-xanthine Formula: C23H27BrN4O3 MolecularWeight: 487.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC(=O)C3CCCCC3)Br)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC(=O)C3CCCCC3)Br)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27BrN4O3/c1-2-13-26-21(30)19-20(28(23(26)31)14-16-9-5-3-6-10-16)25-22(24)27(19)15-18(29)17-11-7-4-8-12-17/h3,5-6,9-10,17H,2,4,7-8,11-15H2,1H3