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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C20H18FN5O3S MolecularWeight: 427.452023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H18FN5O3S/c21-14-9-5-4-8-13(14)18(28)24-16-17(22)25-20(26-19(16)29)30-11-15(27)23-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,23,27)(H,24,28)(H3,22,25,26,29)