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

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-3,4-bis(fluoranyl)benzamide Openeye Name: N-(6-amino-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-3,4-difluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-(phenacylthio)-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-(6-amino-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-3,4-difluorobenzamide Traditional Name: N-[6-amino-4-keto-2-(phenacylthio)-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C19H14F2N4O3S MolecularWeight: 416.401266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14F2N4O3S/c20-12-7-6-11(8-13(12)21)17(27)23-15-16(22)24-19(25-18(15)28)29-9-14(26)10-4-2-1-3-5-10/h1-8H,9H2,(H,23,27)(H3,22,24,25,28)