2,4,7-trimethyl-6-(phenylmethyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione

Systemtic Name: 2,4,7-trimethyl-6-(phenylmethyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Openeye Name: 6-benzyl-2,4,7-trimethyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione CAS Name: 2,4,7-trimethyl-6-(phenylmethyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione IUPAC Name: 6-benzyl-2,4,7-trimethyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Traditional Name: 6-benzyl-2,4,7-trimethyl-5H-purin[7,8-a]imidazol-9-ium-1,3-quinone Formula: C17H18N5O2+ MolecularWeight: 324.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(N1CC3=CC=CC=C3)NC4=C2C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C[N+]2=C(N1CC3=CC=CC=C3)NC4=C2C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C17H17N5O2/c1-11-9-22-13-14(19(2)17(24)20(3)15(13)23)18-16(22)21(11)10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3/p+1