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

Systemtic Name: 4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-6,7-diphenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-6,7-diphenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-2-[2-(4-morpholin-4-iumyl)ethyl]-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-6,7-diphenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H27N6O3+ MolecularWeight: 471.53098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCOCC3)N4C=C(N(C4=N2)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCOCC3)N4C=C(N(C4=N2)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C26H26N6O3/c1-28-23-22(24(33)30(26(28)34)13-12-29-14-16-35-17-15-29)31-18-21(19-8-4-2-5-9-19)32(25(31)27-23)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3/p+1