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

Systemtic Name: 7-(1,3-benzodioxol-5-ylmethyl)-8-(cyclohexylamino)-1,3-diethyl-purine-2,6-dione Openeye Name: 7-(1,3-benzodioxol-5-ylmethyl)-8-(cyclohexylamino)-1,3-diethyl-purine-2,6-dione CAS Name: 7-(1,3-benzodioxol-5-ylmethyl)-8-(cyclohexylamino)-1,3-diethylpurine-2,6-dione IUPAC Name: 7-(1,3-benzodioxol-5-ylmethyl)-8-(cyclohexylamino)-1,3-diethylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1,3-diethyl-7-piperonyl-xanthine Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H29N5O4/c1-3-26-20-19(21(29)27(4-2)23(26)30)28(22(25-20)24-16-8-6-5-7-9-16)13-15-10-11-17-18(12-15)32-14-31-17/h10-12,16H,3-9,13-14H2,1-2H3,(H,24,25)