2-[(4-oxidanyl-6-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropyl-azanium

Systemtic Name: 2-[(4-oxidanyl-6-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropyl-azanium Openeye Name: 2-[(4-hydroxy-5-isopropyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropyl-ammonium CAS Name: 2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)thio]ethyl-dipropylammonium IUPAC Name: 2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropylazanium Traditional Name: 2-[(4-hydroxy-5-isopropyl-6-keto-1H-pyrimidin-2-yl)thio]ethyl-dipropyl-ammonium Formula: C15H28N3O2S+ MolecularWeight: 314.46672

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCSC1=NC(=C(C(=O)N1)C(C)C)O

Isomeric SMILES

CCC[NH+](CCC)CCSC1=NC(=C(C(=O)N1)C(C)C)O

InChI

InChI=1S/C15H27N3O2S/c1-5-7-18(8-6-2)9-10-21-15-16-13(19)12(11(3)4)14(20)17-15/h11H,5-10H2,1-4H3,(H2,16,17,19,20)/p+1