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

Systemtic Name: 7-(1,3-benzodioxol-5-ylmethyl)-8-(cyclohexylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(1,3-benzodioxol-5-ylmethyl)-8-(cyclohexylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(1,3-benzodioxol-5-ylmethyl)-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(1,3-benzodioxol-5-ylmethyl)-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1,3-dimethyl-7-piperonyl-xanthine Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H25N5O4/c1-24-18-17(19(27)25(2)21(24)28)26(20(23-18)22-14-6-4-3-5-7-14)11-13-8-9-15-16(10-13)30-12-29-15/h8-10,14H,3-7,11-12H2,1-2H3,(H,22,23)