7-(1,3-benzodioxol-5-ylmethyl)-8-(cyclohexylamino)-1-ethyl-3-propyl-purine-2,6-dione

Systemtic Name: 7-(1,3-benzodioxol-5-ylmethyl)-8-(cyclohexylamino)-1-ethyl-3-propyl-purine-2,6-dione Openeye Name: 7-(1,3-benzodioxol-5-ylmethyl)-8-(cyclohexylamino)-1-ethyl-3-propyl-purine-2,6-dione CAS Name: 7-(1,3-benzodioxol-5-ylmethyl)-8-(cyclohexylamino)-1-ethyl-3-propylpurine-2,6-dione IUPAC Name: 7-(1,3-benzodioxol-5-ylmethyl)-8-(cyclohexylamino)-1-ethyl-3-propylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-7-piperonyl-3-propyl-xanthine Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H31N5O4/c1-3-12-28-21-20(22(30)27(4-2)24(28)31)29(23(26-21)25-17-8-6-5-7-9-17)14-16-10-11-18-19(13-16)33-15-32-18/h10-11,13,17H,3-9,12,14-15H2,1-2H3,(H,25,26)