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

Systemtic Name: 2,4-dimethyl-6-(2-morpholin-4-ium-4-ylethyl)-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-6-(2-morpholin-4-ium-4-ylethyl)-7-(2-thienyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-6-[2-(4-morpholin-4-iumyl)ethyl]-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-6-(2-morpholin-4-ium-4-ylethyl)-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-6-(2-morpholin-4-ium-4-ylethyl)-7-(2-thienyl)purin[7,8-a]imidazole-1,3-quinone Formula: C19H23N6O3S+ MolecularWeight: 415.48932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC[NH+]4CCOCC4)C5=CC=CS5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC[NH+]4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C19H22N6O3S/c1-21-16-15(17(26)22(2)19(21)27)25-12-13(14-4-3-11-29-14)24(18(25)20-16)6-5-23-7-9-28-10-8-23/h3-4,11-12H,5-10H2,1-2H3/p+1