N-[6-azanyl-2-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[6-azanyl-2-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-2-[2-(3-fluoroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-2-[[2-(3-fluoroanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-2-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-2-[[2-(3-fluoroanilino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C21H20FN5O5S MolecularWeight: 473.477403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=CC(=CC=C3)F)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=CC(=CC=C3)F)N)OC

InChI

InChI=1S/C21H20FN5O5S/c1-31-14-7-6-11(8-15(14)32-2)19(29)25-17-18(23)26-21(27-20(17)30)33-10-16(28)24-13-5-3-4-12(22)9-13/h3-9H,10H2,1-2H3,(H,24,28)(H,25,29)(H3,23,26,27,30)