N-[6-azanyl-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]furan-2-carboxamide

Systemtic Name: N-[6-azanyl-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]furan-2-carboxamide Openeye Name: N-[6-amino-2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide CAS Name: N-[6-amino-2-[(4-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-2-furancarboxamide IUPAC Name: N-[6-amino-2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide Traditional Name: N-[6-amino-2-[(4-chlorobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-2-furamide Formula: C16H13ClN4O3S MolecularWeight: 376.81742

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C16H13ClN4O3S/c17-10-5-3-9(4-6-10)8-25-16-20-13(18)12(15(23)21-16)19-14(22)11-2-1-7-24-11/h1-7H,8H2,(H,19,22)(H3,18,20,21,23)