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

Systemtic Name: 4,7-dimethyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-[2-(4-morpholin-4-iumyl)ethyl]-6-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N6O3+ MolecularWeight: 409.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)CC[NH+]5CCOCC5)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)CC[NH+]5CCOCC5)C

InChI

InChI=1S/C21H24N6O3/c1-15-14-26-17-18(22-20(26)27(15)16-6-4-3-5-7-16)23(2)21(29)25(19(17)28)9-8-24-10-12-30-13-11-24/h3-7,14H,8-13H2,1-2H3/p+1