2-[(5R)-4,6-bis(oxidanylidene)-1-phenyl-5-propyl-pyrimidin-2-yl]sulfanylethyl-diethyl-azanium

Systemtic Name: 2-[(5R)-4,6-bis(oxidanylidene)-1-phenyl-5-propyl-pyrimidin-2-yl]sulfanylethyl-diethyl-azanium Openeye Name: 2-[(5R)-4,6-dioxo-1-phenyl-5-propyl-pyrimidin-2-yl]sulfanylethyl-diethyl-ammonium CAS Name: 2-[[(5R)-4,6-dioxo-1-phenyl-5-propyl-2-pyrimidinyl]thio]ethyl-diethylammonium IUPAC Name: 2-[(5R)-4,6-dioxo-1-phenyl-5-propylpyrimidin-2-yl]sulfanylethyl-diethylazanium Traditional Name: 2-[[(5R)-4,6-diketo-1-phenyl-5-propyl-pyrimidin-2-yl]thio]ethyl-diethyl-ammonium Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N=C(N(C1=O)C2=CC=CC=C2)SCC[NH+](CC)CC

Isomeric SMILES

CCC[C@@H]1C(=O)N=C(N(C1=O)C2=CC=CC=C2)SCC[NH+](CC)CC

InChI

InChI=1S/C19H27N3O2S/c1-4-10-16-17(23)20-19(25-14-13-21(5-2)6-3)22(18(16)24)15-11-8-7-9-12-15/h7-9,11-12,16H,4-6,10,13-14H2,1-3H3/p+1/t16-/m1/s1