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

Systemtic Name: 6-methyl-2-methylsulfanyl-5-[3-oxidanylidene-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propyl]pyrimidin-4-olate Openeye Name: 5-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-(methylthio)-5-[3-oxo-3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]propyl]-4-pyrimidinolate IUPAC Name: 5-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-keto-propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-15-18(20(27)24-21(22-15)28-2)8-9-19(26)23-17-10-12-25(13-11-17)14-16-6-4-3-5-7-16/h3-7,17H,8-14H2,1-2H3,(H,23,26)(H,22,24,27)