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

Systemtic Name: 8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione Openeye Name: 8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione CAS Name: 8-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-methyl-7-[2-(4-morpholin-4-iumyl)ethyl]purine-2,6-dione IUPAC Name: 8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione Traditional Name: 8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7-(2-morpholin-4-ium-4-ylethyl)xanthine Formula: C24H35N7O4+2 MolecularWeight: 485.5792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)CC[NH+]5CCOCC5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)CC[NH+]5CCOCC5

InChI

InChI=1S/C24H33N7O4/c1-27-22-21(23(32)26-24(27)33)31(12-9-28-13-15-35-16-14-28)20(25-22)17-29-7-10-30(11-8-29)18-3-5-19(34-2)6-4-18/h3-6H,7-17H2,1-2H3,(H,26,32,33)/p+2