[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)methyl]-methyl-ammonium CAS Name: (1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)methyl]-methylazanium Traditional Name: benzyl-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)methyl]-methyl-ammonium Formula: C19H26N5O2+ MolecularWeight: 356.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O2/c1-13(2)24-15(12-21(3)11-14-9-7-6-8-10-14)20-17-16(24)18(25)23(5)19(26)22(17)4/h6-10,13H,11-12H2,1-5H3/p+1