8-(1,3-benzodioxol-5-ylmethylamino)-1-[(2-chlorophenyl)methyl]-3,9-dimethyl-purine-2,6-dione

Systemtic Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1-[(2-chlorophenyl)methyl]-3,9-dimethyl-purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1-[(2-chlorophenyl)methyl]-3,9-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1-[(2-chlorophenyl)methyl]-3,9-dimethylpurine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1-[(2-chlorophenyl)methyl]-3,9-dimethylpurine-2,6-dione Traditional Name: 1-(2-chlorobenzyl)-3,9-dimethyl-8-(piperonylamino)xanthine Formula: C22H20ClN5O4 MolecularWeight: 453.8783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl)N=C1NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl)N=C1NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20ClN5O4/c1-26-19-18(25-21(26)24-10-13-7-8-16-17(9-13)32-12-31-16)20(29)28(22(30)27(19)2)11-14-5-3-4-6-15(14)23/h3-9H,10-12H2,1-2H3,(H,24,25)