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

Systemtic Name: N-[6-azanyl-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylthio]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylthio]-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C16H17FN4O4S MolecularWeight: 380.393983

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1COC(O1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H17FN4O4S/c17-10-3-1-9(2-4-10)14(22)19-12-13(18)20-16(21-15(12)23)26-8-5-11-24-6-7-25-11/h1-4,11H,5-8H2,(H,19,22)(H3,18,20,21,23)