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

Systemtic Name: N-[6-azanyl-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C18H16FN5O4S MolecularWeight: 417.414143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NCC3=CC=CO3)N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NCC3=CC=CO3)N)F

InChI

InChI=1S/C18H16FN5O4S/c19-12-6-2-1-5-11(12)16(26)22-14-15(20)23-18(24-17(14)27)29-9-13(25)21-8-10-4-3-7-28-10/h1-7H,8-9H2,(H,21,25)(H,22,26)(H3,20,23,24,27)