7-(2-ethoxyethyl)-8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(2-ethoxyethyl)-8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-8-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-xanthine Formula: C23H33N6O4+ MolecularWeight: 457.54592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H32N6O4/c1-5-33-15-14-29-19(24-21-20(29)22(30)26(3)23(31)25(21)2)16-27-10-12-28(13-11-27)17-6-8-18(32-4)9-7-17/h6-9H,5,10-16H2,1-4H3/p+1