3-(2-chlorophenyl)carbonyl-2-[2-(diethylazaniumyl)ethylsulfanyl]-6-oxidanylidene-5-propyl-pyrimidin-4-olate

Systemtic Name: 3-(2-chlorophenyl)carbonyl-2-[2-(diethylazaniumyl)ethylsulfanyl]-6-oxidanylidene-5-propyl-pyrimidin-4-olate Openeye Name: 3-(2-chlorobenzoyl)-2-[2-(diethylammonio)ethylsulfanyl]-6-oxo-5-propyl-pyrimidin-4-olate CAS Name: 3-[(2-chlorophenyl)-oxomethyl]-2-[2-(diethylammonio)ethylthio]-6-oxo-5-propyl-4-pyrimidinolate IUPAC Name: 3-(2-chlorobenzoyl)-2-[2-(diethylazaniumyl)ethylsulfanyl]-6-oxo-5-propylpyrimidin-4-olate Traditional Name: 3-(2-chlorobenzoyl)-2-[2-(diethylammonio)ethylthio]-6-keto-5-propyl-pyrimidin-4-olate Formula: C20H26ClN3O3S MolecularWeight: 423.95674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C(=O)C2=CC=CC=C2Cl)[O-]

Isomeric SMILES

CCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C(=O)C2=CC=CC=C2Cl)[O-]

InChI

InChI=1S/C20H26ClN3O3S/c1-4-9-15-17(25)22-20(28-13-12-23(5-2)6-3)24(19(15)27)18(26)14-10-7-8-11-16(14)21/h7-8,10-11,27H,4-6,9,12-13H2,1-3H3