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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[(2-keto-2-piperidino-ethyl)thio]-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C18H20FN5O3S MolecularWeight: 405.446503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H20FN5O3S/c19-12-7-3-2-6-11(12)16(26)21-14-15(20)22-18(23-17(14)27)28-10-13(25)24-8-4-1-5-9-24/h2-3,6-7H,1,4-5,8-10H2,(H,21,26)(H3,20,22,23,27)