7-(2-diethylaminoethyl)-8-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(2-diethylaminoethyl)-8-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2-diethylaminoethyl)-8-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-diethylaminoethyl)-8-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-diethylaminoethyl)-8-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-diethylaminoethyl)-8-[4-(2-diethylaminoethyloxy)benzyl]-1,3-dimethyl-xanthine Formula: C26H40N6O3 MolecularWeight: 484.6342

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=C(C=C3)OCCN(CC)CC

Isomeric SMILES

CCN(CC)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=C(C=C3)OCCN(CC)CC

InChI

InChI=1S/C26H40N6O3/c1-7-30(8-2)15-16-32-22(27-24-23(32)25(33)29(6)26(34)28(24)5)19-20-11-13-21(14-12-20)35-18-17-31(9-3)10-4/h11-14H,7-10,15-19H2,1-6H3