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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+](C)CC3=CC=CC=C3

InChI

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