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

Systemtic Name: N-[6-azanyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methoxy-benzamide Openeye Name: N-[6-amino-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methoxy-benzamide CAS Name: N-[6-amino-2-[(2-chloro-6-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide IUPAC Name: N-[6-amino-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide Traditional Name: N-[6-amino-2-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-methoxy-benzamide Formula: C19H16ClFN4O3S MolecularWeight: 434.871743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=C(C=CC=C3Cl)F)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=C(C=CC=C3Cl)F)N

InChI

InChI=1S/C19H16ClFN4O3S/c1-28-11-7-5-10(6-8-11)17(26)23-15-16(22)24-19(25-18(15)27)29-9-12-13(20)3-2-4-14(12)21/h2-8H,9H2,1H3,(H,23,26)(H3,22,24,25,27)