3-methyl-7-[(4-methylphenyl)methyl]-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Openeye Name: 3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(4-methyl-1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-(4-methylbenzyl)-8-(4-methylpiperazin-4-ium-1-yl)xanthine Formula: C19H25N6O2+ MolecularWeight: 369.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2N4CC[NH+](CC4)C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2N4CC[NH+](CC4)C)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H24N6O2/c1-13-4-6-14(7-5-13)12-25-15-16(23(3)19(27)21-17(15)26)20-18(25)24-10-8-22(2)9-11-24/h4-7H,8-12H2,1-3H3,(H,21,26,27)/p+1