7-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[homoveratryl(methyl)amino]ethyl]-1,3-dimethyl-xanthine Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H27N5O4/c1-22(9-8-14-6-7-15(28-4)16(12-14)29-5)10-11-25-13-21-18-17(25)19(26)24(3)20(27)23(18)2/h6-7,12-13H,8-11H2,1-5H3