(phenylmethyl) 2-[[6-azanyl-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[6-azanyl-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[6-amino-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-amino-5-[[(4-fluorophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[6-amino-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-amino-5-[(4-fluorobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]acetic acid benzyl ester Formula: C20H17FN4O4S MolecularWeight: 428.436783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN4O4S/c21-14-8-6-13(7-9-14)18(27)23-16-17(22)24-20(25-19(16)28)30-11-15(26)29-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,23,27)(H3,22,24,25,28)