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

Systemtic Name: 8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-dione Openeye Name: 8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-dione CAS Name: 8-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-quinone Formula: C18H23N6O3+ MolecularWeight: 371.41362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3/c1-22-16-15(17(25)21-18(22)26)19-14(20-16)11-23-7-9-24(10-8-23)12-3-5-13(27-2)6-4-12/h3-6H,7-11H2,1-2H3,(H,19,20)(H,21,25,26)/p+1