2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-cyclohexyl-5-ethyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-cyclohexyl-5-ethyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-3-cyclohexyl-5-ethyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-3-cyclohexyl-5-ethyl-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-3-cyclohexyl-5-ethyl-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-3-cyclohexyl-5-ethyl-6-keto-pyrimidin-4-olate Formula: C21H23N4O3S2- MolecularWeight: 443.56232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2)C4CCCCC4)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2)C4CCCCC4)[O-]

InChI

InChI=1S/C21H24N4O3S2/c1-2-14-18(27)24-21(25(19(14)28)13-8-4-3-5-9-13)29-12-17(26)23-20-22-15-10-6-7-11-16(15)30-20/h6-7,10-11,13,28H,2-5,8-9,12H2,1H3,(H,22,23,26)/p-1