8-[4-(2-cyclohexylethanoyl)piperazin-1-yl]-1,3-dimethyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-[4-(2-cyclohexylethanoyl)piperazin-1-yl]-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[4-(2-cyclohexyl-1-oxoethyl)-1-piperazinyl]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[4-(2-cyclohexylacetyl)piperazino]-1,3-dimethyl-7-propyl-xanthine Formula: C22H34N6O3 MolecularWeight: 430.54376

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CCN(CC3)C(=O)CC4CCCCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CCN(CC3)C(=O)CC4CCCCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H34N6O3/c1-4-10-28-18-19(24(2)22(31)25(3)20(18)30)23-21(28)27-13-11-26(12-14-27)17(29)15-16-8-6-5-7-9-16/h16H,4-15H2,1-3H3