5-[3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-[3-[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]amino]-3-oxopropyl]-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-3-oxopropyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]amino]-3-keto-propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C21H27ClN4O2S MolecularWeight: 434.98268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4O2S/c1-14-18(20(28)25-21(23-14)29-2)7-8-19(27)24-17-9-11-26(12-10-17)13-15-3-5-16(22)6-4-15/h3-6,17H,7-13H2,1-2H3,(H,24,27)(H,23,25,28)