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

Systemtic Name: 4,7-dimethyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-[2-(4-morpholin-4-iumyl)ethyl]-6-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H29N6O3+ MolecularWeight: 437.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CC[NH+]5CCOCC5)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CC[NH+]5CCOCC5)C

InChI

InChI=1S/C23H28N6O3/c1-17-16-29-19-20(24-22(29)27(17)9-8-18-6-4-3-5-7-18)25(2)23(31)28(21(19)30)11-10-26-12-14-32-15-13-26/h3-7,16H,8-15H2,1-2H3/p+1