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

Systemtic Name: 4,7-dimethyl-6-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-6-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-6-phenyl-2-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-6-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-6-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N6O2+ MolecularWeight: 407.48878

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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+]5CCCCC5)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)CC[NH+]5CCCCC5)C

InChI

InChI=1S/C22H26N6O2/c1-16-15-27-18-19(23-21(27)28(16)17-9-5-3-6-10-17)24(2)22(30)26(20(18)29)14-13-25-11-7-4-8-12-25/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3/p+1