N-[6-azanyl-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[6-azanyl-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-(p-tolylmethylsulfanyl)-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-2-[(4-methylphenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-2-[(4-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[(4-methylbenzyl)thio]-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C19H17FN4O2S MolecularWeight: 384.427283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H17FN4O2S/c1-11-6-8-12(9-7-11)10-27-19-23-16(21)15(18(26)24-19)22-17(25)13-4-2-3-5-14(13)20/h2-9H,10H2,1H3,(H,22,25)(H3,21,23,24,26)