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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C23H23FN6O3S MolecularWeight: 482.530523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C23H23FN6O3S/c24-17-9-5-4-8-16(17)21(32)26-19-20(25)27-23(28-22(19)33)34-14-18(31)30-12-10-29(11-13-30)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,26,32)(H3,25,27,28,33)