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

Systemtic Name: 4-methyl-6-(2-morpholin-4-ium-4-ylethyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4-methyl-6-(2-morpholin-4-ium-4-ylethyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-6-[2-(4-morpholin-4-iumyl)ethyl]-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-6-(2-morpholin-4-ium-4-ylethyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4-methyl-6-(2-morpholin-4-ium-4-ylethyl)-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H23N6O3+ MolecularWeight: 395.43502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)CC[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)CC[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C20H22N6O3/c1-23-17-16(18(27)22-20(23)28)26-13-15(14-5-3-2-4-6-14)25(19(26)21-17)8-7-24-9-11-29-12-10-24/h2-6,13H,7-12H2,1H3,(H,22,27,28)/p+1