2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]oxyethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]oxyethyl-dimethyl-azanium Openeye Name: 2-[1,3-dimethyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]oxy]ethyl-dimethylammonium IUPAC Name: 2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]oxyethyl-dimethylazanium Traditional Name: 2-[2,6-diketo-1,3-dimethyl-7-(4-methylbenzyl)purin-8-yl]oxyethyl-dimethyl-ammonium Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2OCC[NH+](C)C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2OCC[NH+](C)C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H25N5O3/c1-13-6-8-14(9-7-13)12-24-15-16(20-18(24)27-11-10-21(2)3)22(4)19(26)23(5)17(15)25/h6-9H,10-12H2,1-5H3/p+1