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

Systemtic Name: 4,7,8-trimethyl-6-(3-morpholin-4-ium-4-ylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-6-(3-morpholin-4-ium-4-ylpropyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-6-[3-(4-morpholin-4-iumyl)propyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-6-(3-morpholin-4-ium-4-ylpropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7,8-trimethyl-6-(3-morpholin-4-ium-4-ylpropyl)purin[7,8-a]imidazole-1,3-quinone Formula: C17H25N6O3+ MolecularWeight: 361.4188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CCC[NH+]4CCOCC4)N(C(=O)NC3=O)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CCC[NH+]4CCOCC4)N(C(=O)NC3=O)C)C

InChI

InChI=1S/C17H24N6O3/c1-11-12(2)23-13-14(20(3)17(25)19-15(13)24)18-16(23)22(11)6-4-5-21-7-9-26-10-8-21/h4-10H2,1-3H3,(H,19,24,25)/p+1