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

Systemtic Name: 2,4-dimethyl-6-(2-morpholin-4-ium-4-ylethyl)-7-naphthalen-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-6-(2-morpholin-4-ium-4-ylethyl)-7-(2-naphthyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-6-[2-(4-morpholin-4-iumyl)ethyl]-7-(2-naphthalenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-6-(2-morpholin-4-ium-4-ylethyl)-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-6-(2-morpholin-4-ium-4-ylethyl)-7-(2-naphthyl)purin[7,8-a]imidazole-1,3-quinone Formula: C25H27N6O3+ MolecularWeight: 459.52028

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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=CC6=CC=CC=C6C=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC[NH+]4CCOCC4)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C25H26N6O3/c1-27-22-21(23(32)28(2)25(27)33)31-16-20(19-8-7-17-5-3-4-6-18(17)15-19)30(24(31)26-22)10-9-29-11-13-34-14-12-29/h3-8,15-16H,9-14H2,1-2H3/p+1