[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl-[(2,3-dimethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl-[(2,3-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl-[(2,3-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl-[(2,3-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl-[(2,3-dimethoxyphenyl)methyl]-methylazanium Traditional Name: (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl-methyl-o-veratryl-ammonium Formula: C23H34N5O4+ MolecularWeight: 444.54716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+](C)CC3=C(C(=CC=C3)OC)OC)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+](C)CC3=C(C(=CC=C3)OC)OC)CCC

InChI

InChI=1S/C23H33N5O4/c1-6-8-13-28-21-19(22(29)25-23(28)30)27(12-7-2)18(24-21)15-26(3)14-16-10-9-11-17(31-4)20(16)32-5/h9-11H,6-8,12-15H2,1-5H3,(H,25,29,30)/p+1