2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H15N4O2S2- MolecularWeight: 359.4459

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=NC3=CC=CC=C3S2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=NC3=CC=CC=C3S2)[O-]

InChI

InChI=1S/C16H16N4O2S2/c1-2-5-10-8-13(21)19-15(17-10)23-9-14(22)20-16-18-11-6-3-4-7-12(11)24-16/h3-4,6-8H,2,5,9H2,1H3,(H,17,19,21)(H,18,20,22)/p-1