6-butyl-4-methyl-7-phenyl-8-(piperidin-1-ylmethyl)purino[7,8-a]imidazole-1,3-dione hydrobromide

Systemtic Name: 6-butyl-4-methyl-7-phenyl-8-(piperidin-1-ylmethyl)purino[7,8-a]imidazole-1,3-dione hydrobromide Openeye Name: 6-butyl-4-methyl-7-phenyl-8-(1-piperidylmethyl)purino[7,8-a]imidazole-1,3-dione hydrobromide CAS Name: 6-butyl-4-methyl-7-phenyl-8-(1-piperidinylmethyl)purino[7,8-a]imidazole-1,3-dione hydrobromide IUPAC Name: 6-butyl-4-methyl-7-phenyl-8-(piperidin-1-ylmethyl)purino[7,8-a]imidazole-1,3-dione hydrobromide Traditional Name: 6-butyl-4-methyl-7-phenyl-8-(piperidinomethyl)purin[7,8-a]imidazole-1,3-quinone hydrobromide Formula: C24H31BrN6O2 MolecularWeight: 515.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N2C1=NC3=C2C(=O)NC(=O)N3C)CN4CCCCC4)C5=CC=CC=C5.Br

Isomeric SMILES

CCCCN1C(=C(N2C1=NC3=C2C(=O)NC(=O)N3C)CN4CCCCC4)C5=CC=CC=C5.Br

InChI

InChI=1S/C24H30N6O2.BrH/c1-3-4-15-29-19(17-11-7-5-8-12-17)18(16-28-13-9-6-10-14-28)30-20-21(25-23(29)30)27(2)24(32)26-22(20)31;/h5,7-8,11-12H,3-4,6,9-10,13-16H2,1-2H3,(H,26,31,32);1H