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

Systemtic Name: propyl 2-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C16H17FN4O3S MolecularWeight: 364.394583

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NC=C(C(=N1)N)C(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CCCOC(=O)CSC1=NC=C(C(=N1)N)C(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C16H17FN4O3S/c1-2-7-24-13(22)9-25-16-19-8-12(14(18)21-16)15(23)20-11-5-3-10(17)4-6-11/h3-6,8H,2,7,9H2,1H3,(H,20,23)(H2,18,19,21)