1,3-dimethyl-7-(2-morpholin-4-ylethyl)-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-morpholin-4-ylethyl)-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-morpholinoethyl)-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]-8-[(4-phenyl-1-piperazin-1-iumyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-morpholin-4-ylethyl)-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-morpholinoethyl)-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]xanthine Formula: C24H34N7O3+ MolecularWeight: 468.57186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4)CCN5CCOCC5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4)CCN5CCOCC5

InChI

InChI=1S/C24H33N7O3/c1-26-22-21(23(32)27(2)24(26)33)31(13-10-28-14-16-34-17-15-28)20(25-22)18-29-8-11-30(12-9-29)19-6-4-3-5-7-19/h3-7H,8-18H2,1-2H3/p+1