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

Systemtic Name: 6-(2-ethylphenyl)-4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-ethylphenyl)-4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-ethylphenyl)-4-methyl-2-[2-(4-morpholin-4-iumyl)ethyl]-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-ethylphenyl)-4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-ethylphenyl)-4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C28H31N6O3+ MolecularWeight: 499.58414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC[NH+]5CCOCC5)C6=CC=CC=C6

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC[NH+]5CCOCC5)C6=CC=CC=C6

InChI

InChI=1S/C28H30N6O3/c1-3-20-9-7-8-12-22(20)34-23(21-10-5-4-6-11-21)19-33-24-25(29-27(33)34)30(2)28(36)32(26(24)35)14-13-31-15-17-37-18-16-31/h4-12,19H,3,13-18H2,1-2H3/p+1