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

Systemtic Name: 4,7,8-trimethyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-[2-(4-morpholin-4-iumyl)ethyl]-6-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7,8-trimethyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N6O3+ MolecularWeight: 423.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)CC[NH+]5CCOCC5)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)CC[NH+]5CCOCC5)C)C

InChI

InChI=1S/C22H26N6O3/c1-15-16(2)28-18-19(23-21(28)27(15)17-7-5-4-6-8-17)24(3)22(30)26(20(18)29)10-9-25-11-13-31-14-12-25/h4-8H,9-14H2,1-3H3/p+1