(4-nitrophenyl)methyl 2-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: (4-nitrophenyl)methyl 2-[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-amino-5-[(4-fluoroanilino)-oxomethyl]-2-pyrimidinyl]thio]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]thio]acetic acid (4-nitrobenzyl) ester Formula: C20H16FN5O5S MolecularWeight: 457.434943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CSC2=NC=C(C(=N2)N)C(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CSC2=NC=C(C(=N2)N)C(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H16FN5O5S/c21-13-3-5-14(6-4-13)24-19(28)16-9-23-20(25-18(16)22)32-11-17(27)31-10-12-1-7-15(8-2-12)26(29)30/h1-9H,10-11H2,(H,24,28)(H2,22,23,25)