8-[1,3-benzodioxol-5-yl(methyl)amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[1,3-benzodioxol-5-yl(methyl)amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-[1,3-benzodioxol-5-yl(methyl)amino]-7-benzyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[1,3-benzodioxol-5-yl(methyl)amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-[1,3-benzodioxol-5-yl(methyl)amino]-7-benzyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[1,3-benzodioxol-5-yl(methyl)amino]-7-benzyl-1,3-dimethyl-xanthine Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C22H21N5O4/c1-24(15-9-10-16-17(11-15)31-13-30-16)21-23-19-18(20(28)26(3)22(29)25(19)2)27(21)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3