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

Systemtic Name: (phenylmethyl) 2-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C20H17FN4O3S MolecularWeight: 412.437383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC=C(C(=N2)N)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC=C(C(=N2)N)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN4O3S/c21-14-6-8-15(9-7-14)24-19(27)16-10-23-20(25-18(16)22)29-12-17(26)28-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,24,27)(H2,22,23,25)