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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NCC3=CC=C(C=C3)F)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NCC3=CC=C(C=C3)F)N

InChI

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