N-[6-azanyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[6-azanyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-2-[(2-indolin-1-yl-2-keto-ethyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C21H18FN5O3S MolecularWeight: 439.462723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN5O3S/c22-14-7-5-13(6-8-14)19(29)24-17-18(23)25-21(26-20(17)30)31-11-16(28)27-10-9-12-3-1-2-4-15(12)27/h1-8H,9-11H2,(H,24,29)(H3,23,25,26,30)