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

Systemtic Name: 4,7,8-trimethyl-6-(2-morpholin-4-ium-4-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-6-(2-morpholin-4-ium-4-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-6-[2-(4-morpholin-4-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-6-(2-morpholin-4-ium-4-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7,8-trimethyl-6-(2-morpholin-4-ium-4-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C16H23N6O3+ MolecularWeight: 347.39222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CC[NH+]4CCOCC4)N(C(=O)NC3=O)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CC[NH+]4CCOCC4)N(C(=O)NC3=O)C)C

InChI

InChI=1S/C16H22N6O3/c1-10-11(2)22-12-13(19(3)16(24)18-14(12)23)17-15(22)21(10)5-4-20-6-8-25-9-7-20/h4-9H2,1-3H3,(H,18,23,24)/p+1