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

Systemtic Name: butyl-ethyl-[[3-methyl-2,6-bis(oxidanylidene)-7-(3-phenylpropyl)purin-8-yl]methyl]azanium Openeye Name: butyl-ethyl-[[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]methyl]ammonium CAS Name: butyl-ethyl-[[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-8-purinyl]methyl]ammonium IUPAC Name: butyl-ethyl-[[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]methyl]azanium Traditional Name: butyl-[[2,6-diketo-3-methyl-7-(3-phenylpropyl)purin-8-yl]methyl]-ethyl-ammonium Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)CC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCC[NH+](CC)CC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C22H31N5O2/c1-4-6-14-26(5-2)16-18-23-20-19(21(28)24-22(29)25(20)3)27(18)15-10-13-17-11-8-7-9-12-17/h7-9,11-12H,4-6,10,13-16H2,1-3H3,(H,24,28,29)/p+1