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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C25H26FN5O3S MolecularWeight: 495.569043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN5O3S/c26-19-8-6-18(7-9-19)23(33)28-21-22(27)29-25(30-24(21)34)35-15-20(32)31-12-10-17(11-13-31)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,28,33)(H3,27,29,30,34)