N-[6-acetamido-2-(3-methylbutylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[6-acetamido-2-(3-methylbutylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-(6-acetamido-2-isopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-fluoro-benzamide CAS Name: N-[6-acetamido-2-(3-methylbutylthio)-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-acetamido-2-(3-methylbutylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-acetamido-2-(isoamylthio)-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C18H21FN4O3S MolecularWeight: 392.447743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CCSC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H21FN4O3S/c1-10(2)8-9-27-18-22-15(20-11(3)24)14(17(26)23-18)21-16(25)12-4-6-13(19)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,21,25)(H2,20,22,23,24,26)