3-methyl-7-[(3-methylphenyl)methyl]-8-(4-methylpiperidin-1-ium-1-ylidene)-5H-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(4-methylpiperidin-1-ium-1-ylidene)-5H-purine-2,6-dione Openeye Name: 3-methyl-8-(4-methylpiperidin-1-ium-1-ylidene)-7-(m-tolylmethyl)-5H-purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(4-methyl-1-piperidin-1-iumylidene)-5H-purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(4-methylpiperidin-1-ium-1-ylidene)-5H-purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-(4-methylpiperidin-1-ium-1-ylidene)-5H-purine-2,6-quinone Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](=C2N=C3C(N2CC4=CC=CC(=C4)C)C(=O)NC(=O)N3C)CC1

Isomeric SMILES

CC1CC[N+](=C2N=C3C(N2CC4=CC=CC(=C4)C)C(=O)NC(=O)N3C)CC1

InChI

InChI=1S/C20H25N5O2/c1-13-7-9-24(10-8-13)19-21-17-16(18(26)22-20(27)23(17)3)25(19)12-15-6-4-5-14(2)11-15/h4-6,11,13,16H,7-10,12H2,1-3H3/p+1