2-[(6R)-6-[4-(cyanomethoxy)phenyl]-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(6R)-6-[4-(cyanomethoxy)phenyl]-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[(6R)-6-[4-(cyanomethoxy)phenyl]-5-methoxycarbonyl-4-methyl-2-thioxo-1,6-dihydropyrimidin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[(6R)-6-[4-(cyanomethoxy)phenyl]-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]ethyl-diethylammonium IUPAC Name: 2-[(6R)-6-[4-(cyanomethoxy)phenyl]-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]ethyl-diethylazanium Traditional Name: 2-[(6R)-5-carbomethoxy-6-[4-(cyanomethoxy)phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidin-3-yl]ethyl-diethyl-ammonium Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)OCC#N)C(=O)OC)C

Isomeric SMILES

CC[NH+](CC)CCN1C(=C([C@H](NC1=S)C2=CC=C(C=C2)OCC#N)C(=O)OC)C

InChI

InChI=1S/C21H28N4O3S/c1-5-24(6-2)12-13-25-15(3)18(20(26)27-4)19(23-21(25)29)16-7-9-17(10-8-16)28-14-11-22/h7-10,19H,5-6,12-14H2,1-4H3,(H,23,29)/p+1/t19-/m1/s1