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

Systemtic Name: 2-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H17N4O2S2- MolecularWeight: 373.47248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S2/c1-3-5-11-8-13(22)19-16(18-11)24-9-14(23)20-17-21-15-10(2)6-4-7-12(15)25-17/h4,6-8H,3,5,9H2,1-2H3,(H,18,19,22)(H,20,21,23)/p-1