4,7-dimethyl-6-(3-morpholin-4-ium-4-ylpropyl)purino[7,8-a]imidazole-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCC[NH+]4CCOCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCC[NH+]4CCOCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C16H22N6O3/c1-11-10-22-12-13(19(2)16(24)18-14(12)23)17-15(22)21(11)5-3-4-20-6-8-25-9-7-20/h10H,3-9H2,1-2H3,(H,18,23,24)/p+1