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

Systemtic Name: (4-phenylphenyl)methyl 2-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: (4-phenylphenyl)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-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)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-phenylbenzyl) ester Formula: C26H21FN4O3S MolecularWeight: 488.533343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)COC(=O)CSC3=NC=C(C(=N3)N)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)COC(=O)CSC3=NC=C(C(=N3)N)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C26H21FN4O3S/c27-20-10-12-21(13-11-20)30-25(33)22-14-29-26(31-24(22)28)35-16-23(32)34-15-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-14H,15-16H2,(H,30,33)(H2,28,29,31)