2-[2-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-carbamoyl-4-piperidin-1-ium-1-yl-1-piperidyl)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-carbamoyl-4-(1-piperidin-1-iumyl)-1-piperidinyl]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-carbamoyl-4-piperidin-1-ium-1-ylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)[O-]

InChI

InChI=1S/C18H27N5O3S/c1-13-11-14(24)21-17(20-13)27-12-15(25)22-9-5-18(6-10-22,16(19)26)23-7-3-2-4-8-23/h11H,2-10,12H2,1H3,(H2,19,26)(H,20,21,24)