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

Systemtic Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(4-methylpiperazin-4-ium-1-yl)amino]purine-2,6-dione Openeye Name: 3-methyl-8-[(4-methylpiperazin-4-ium-1-yl)amino]-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(4-methyl-1-piperazin-4-iumyl)amino]purine-2,6-dione IUPAC Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(4-methylpiperazin-4-ium-1-yl)amino]purine-2,6-dione Traditional Name: 3-methyl-7-(4-methylbenzyl)-8-[(4-methylpiperazin-4-ium-1-yl)amino]xanthine Formula: C19H26N7O2+ MolecularWeight: 384.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2NN4CC[NH+](CC4)C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2NN4CC[NH+](CC4)C)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H25N7O2/c1-13-4-6-14(7-5-13)12-26-15-16(24(3)19(28)21-17(15)27)20-18(26)22-25-10-8-23(2)9-11-25/h4-7H,8-12H2,1-3H3,(H,20,22)(H,21,27,28)/p+1