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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F

InChI

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