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

Systemtic Name: phenethyl 2-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C21H19FN4O3S MolecularWeight: 426.463963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN4O3S/c22-15-6-8-16(9-7-15)25-20(28)17-12-24-21(26-19(17)23)30-13-18(27)29-11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,25,28)(H2,23,24,26)