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

Systemtic Name: N-[6-azanyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C17H15FN6O4S MolecularWeight: 418.402203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN6O4S/c1-8-6-11(24-28-8)20-12(25)7-29-17-22-14(19)13(16(27)23-17)21-15(26)9-2-4-10(18)5-3-9/h2-6H,7H2,1H3,(H,21,26)(H,20,24,25)(H3,19,22,23,27)