6-(4-methoxyphenyl)-2,4-dimethyl-5,8-dihydropurino[7,8-a]imidazol-9-ium-1,3,7-trione

Systemtic Name: 6-(4-methoxyphenyl)-2,4-dimethyl-5,8-dihydropurino[7,8-a]imidazol-9-ium-1,3,7-trione Openeye Name: 6-(4-methoxyphenyl)-2,4-dimethyl-5,8-dihydropurino[7,8-a]imidazol-9-ium-1,3,7-trione CAS Name: 6-(4-methoxyphenyl)-2,4-dimethyl-5,8-dihydropurino[7,8-a]imidazol-9-ium-1,3,7-trione IUPAC Name: 6-(4-methoxyphenyl)-2,4-dimethyl-5,8-dihydropurino[7,8-a]imidazol-9-ium-1,3,7-trione Traditional Name: 6-(4-methoxyphenyl)-2,4-dimethyl-5,8-dihydropurin[7,8-a]imidazol-9-ium-1,3,7-trione Formula: C16H16N5O4+ MolecularWeight: 342.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O4/c1-18-13-12(14(23)19(2)16(18)24)20-8-11(22)21(15(20)17-13)9-4-6-10(25-3)7-5-9/h4-7H,8H2,1-3H3/p+1