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

Systemtic Name: N-[6-azanyl-2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C21H20FN5O4S MolecularWeight: 457.478003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=CC=C(C=C3)F)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3=CC=C(C=C3)F)N

InChI

InChI=1S/C21H20FN5O4S/c1-2-31-15-9-3-12(4-10-15)19(29)25-17-18(23)26-21(27-20(17)30)32-11-16(28)24-14-7-5-13(22)6-8-14/h3-10H,2,11H2,1H3,(H,24,28)(H,25,29)(H3,23,26,27,30)