8-(1,3-benzodioxol-5-yloxymethyl)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(1,3-benzodioxol-5-yloxymethyl)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-yloxymethyl)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-yloxymethyl)-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-yloxymethyl)-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(1,3-benzodioxol-5-yloxymethyl)-1-(2-chlorobenzyl)-3,7-dimethyl-xanthine Formula: C22H19ClN4O5 MolecularWeight: 454.86306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19ClN4O5/c1-25-18(11-30-14-7-8-16-17(9-14)32-12-31-16)24-20-19(25)21(28)27(22(29)26(20)2)10-13-5-3-4-6-15(13)23/h3-9H,10-12H2,1-2H3