1,3-dimethyl-8-[4-(phenylmethyl)pyridin-1-ium-1-yl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[4-(phenylmethyl)pyridin-1-ium-1-yl]-7H-purine-2,6-dione Openeye Name: 8-(4-benzylpyridin-1-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-(phenylmethyl)-1-pyridin-1-iumyl]-7H-purine-2,6-dione IUPAC Name: 8-(4-benzylpyridin-1-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(4-benzylpyridin-1-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C19H18N5O2+ MolecularWeight: 348.37852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+]3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+]3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H17N5O2/c1-22-16-15(17(25)23(2)19(22)26)20-18(21-16)24-10-8-14(9-11-24)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3/p+1