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

Systemtic Name: N-[6-azanyl-2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[6-amino-2-(2-amino-2-oxo-ethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide CAS Name: N-[6-amino-2-[(2-amino-2-oxoethyl)thio]-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-[6-amino-2-(2-amino-2-oxoethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide Traditional Name: N-[6-amino-2-[(2-amino-2-keto-ethyl)thio]-4-keto-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C13H11F2N5O3S MolecularWeight: 355.319946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=C(NC(=NC2=O)SCC(=O)N)N)F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=C(NC(=NC2=O)SCC(=O)N)N)F)F

InChI

InChI=1S/C13H11F2N5O3S/c14-6-2-1-5(3-7(6)15)11(22)18-9-10(17)19-13(20-12(9)23)24-4-8(16)21/h1-3H,4H2,(H2,16,21)(H,18,22)(H3,17,19,20,23)