1-[(4-bromophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-1-yl)amino]purin-3-ium-2,6-dione

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-1-yl)amino]purin-3-ium-2,6-dione Openeye Name: 1-[(4-bromophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-1-yl)amino]purin-3-ium-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-3-methyl-8-[(4-methyl-1-piperazinyl)amino]purin-3-ium-2,6-dione IUPAC Name: 1-[(4-bromophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-1-yl)amino]purin-3-ium-2,6-dione Traditional Name: 1-(4-bromobenzyl)-3-methyl-8-[(4-methylpiperazino)amino]purin-3-ium-2,6-quinone Formula: C18H21BrN7O2+ MolecularWeight: 447.30904

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC3=[N+](C(=O)N(C(=O)C3=N2)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CN1CCN(CC1)NC2=NC3=[N+](C(=O)N(C(=O)C3=N2)CC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C18H20BrN7O2/c1-23-7-9-25(10-8-23)22-17-20-14-15(21-17)24(2)18(28)26(16(14)27)11-12-3-5-13(19)6-4-12/h3-6H,7-11H2,1-2H3/p+1