2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C19H19N4O2S2- MolecularWeight: 399.50976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C19H20N4O2S2/c1-12-10-16(24)22-19(20-12)26-11-17(25)23-8-6-13(7-9-23)18-21-14-4-2-3-5-15(14)27-18/h2-5,10,13H,6-9,11H2,1H3,(H,20,22,24)/p-1