3-butyl-1-ethyl-2-oxidanylidene-purine-6-thiolate; 2-hydroxyethyl(trimethyl)azanium

Systemtic Name: 3-butyl-1-ethyl-2-oxidanylidene-purine-6-thiolate; 2-hydroxyethyl(trimethyl)azanium Openeye Name: 3-butyl-1-ethyl-2-oxo-purine-6-thiolate; 2-hydroxyethyl(trimethyl)ammonium CAS Name: 3-butyl-1-ethyl-2-oxo-6-purinethiolate; 2-hydroxyethyl(trimethyl)ammonium IUPAC Name: 3-butyl-1-ethyl-2-oxopurine-6-thiolate; 2-hydroxyethyl(trimethyl)azanium Traditional Name: 3-butyl-1-ethyl-2-keto-purine-6-thiolate; 2-hydroxyethyl(trimethyl)ammonium Formula: C16H29N5O2S MolecularWeight: 355.49876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC=NC2=C(N(C1=O)CC)[S-].C[N+](C)(C)CCO

Isomeric SMILES

CCCCN1C2=NC=NC2=C(N(C1=O)CC)[S-].C[N+](C)(C)CCO

InChI

InChI=1S/C11H16N4OS.C5H14NO/c1-3-5-6-15-9-8(12-7-13-9)10(17)14(4-2)11(15)16;1-6(2,3)4-5-7/h7,17H,3-6H2,1-2H3;7H,4-5H2,1-3H3/q;+1/p-1