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

Systemtic Name: 7-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(homoveratrylamino)ethyl]-1,3-dimethyl-xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H25N5O4/c1-22-17-16(18(25)23(2)19(22)26)24(12-21-17)10-9-20-8-7-13-5-6-14(27-3)15(11-13)28-4/h5-6,11-12,20H,7-10H2,1-4H3