4-methyl-6-(2-methylphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4-methyl-6-(2-methylphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-6-(o-tolyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-6-(2-methylphenyl)-2-[2-(4-morpholin-4-iumyl)ethyl]-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-6-(2-methylphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-6-(o-tolyl)-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C27H29N6O3+ MolecularWeight: 485.55756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC[NH+]5CCOCC5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC[NH+]5CCOCC5)C6=CC=CC=C6

InChI

InChI=1S/C27H28N6O3/c1-19-8-6-7-11-21(19)33-22(20-9-4-3-5-10-20)18-32-23-24(28-26(32)33)29(2)27(35)31(25(23)34)13-12-30-14-16-36-17-15-30/h3-11,18H,12-17H2,1-2H3/p+1