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

Systemtic Name: 4-methyl-6,7-diphenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4-methyl-6,7-diphenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-6,7-diphenyl-2-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-6,7-diphenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 4-methyl-6,7-diphenyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C27H29N6O2+ MolecularWeight: 469.55816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCCCC3)N4C=C(N(C4=N2)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCCCC3)N4C=C(N(C4=N2)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H28N6O2/c1-29-24-23(25(34)31(27(29)35)18-17-30-15-9-4-10-16-30)32-19-22(20-11-5-2-6-12-20)33(26(32)28-24)21-13-7-3-8-14-21/h2-3,5-8,11-14,19H,4,9-10,15-18H2,1H3/p+1