diethyl-methyl-[4-methyl-8-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-4-oxidanyl-oct-2-ynyl]azanium

Systemtic Name: diethyl-methyl-[4-methyl-8-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-4-oxidanyl-oct-2-ynyl]azanium Openeye Name: diethyl-[4-hydroxy-4-methyl-8-(3-methyl-2,6-dioxo-7-propyl-purin-1-yl)oct-2-ynyl]-methyl-ammonium CAS Name: diethyl-[4-hydroxy-4-methyl-8-(3-methyl-2,6-dioxo-7-propyl-1-purinyl)oct-2-ynyl]-methylammonium IUPAC Name: diethyl-[4-hydroxy-4-methyl-8-(3-methyl-2,6-dioxo-7-propylpurin-1-yl)oct-2-ynyl]-methylazanium Traditional Name: [8-(2,6-diketo-3-methyl-7-propyl-purin-1-yl)-4-hydroxy-4-methyl-oct-2-ynyl]-diethyl-methyl-ammonium Formula: C23H38N5O3+ MolecularWeight: 432.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#CC[N+](C)(CC)CC)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#CC[N+](C)(CC)CC)O

InChI

InChI=1S/C23H38N5O3/c1-7-15-26-18-24-20-19(26)21(29)27(22(30)25(20)5)16-11-10-13-23(4,31)14-12-17-28(6,8-2)9-3/h18,31H,7-11,13,15-17H2,1-6H3/q+1