N-[6-azanyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide

Systemtic Name: N-[6-azanyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[6-amino-2-(m-tolylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide CAS Name: N-[6-amino-2-[(3-methylphenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-[6-amino-2-[(3-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[(3-methylbenzyl)thio]-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C19H16F2N4O2S MolecularWeight: 402.417746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F2N4O2S/c1-10-3-2-4-11(7-10)9-28-19-24-16(22)15(18(27)25-19)23-17(26)12-5-6-13(20)14(21)8-12/h2-8H,9H2,1H3,(H,23,26)(H3,22,24,25,27)