N-[6-azanyl-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[6-azanyl-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C20H15FN6O3S2 MolecularWeight: 470.499903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H15FN6O3S2/c21-11-7-5-10(6-8-11)17(29)25-15-16(22)26-19(27-18(15)30)31-9-14(28)24-20-23-12-3-1-2-4-13(12)32-20/h1-8H,9H2,(H,25,29)(H,23,24,28)(H3,22,26,27,30)