N-(4-fluorophenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidine-5-carboxamide

Systemtic Name: N-(4-fluorophenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidine-5-carboxamide Openeye Name: N-(4-fluorophenyl)-1-methyl-2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidine-5-carboxamide CAS Name: N-(4-fluorophenyl)-1-methyl-2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-6-oxo-5-pyrimidinecarboxamide IUPAC Name: N-(4-fluorophenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide Traditional Name: N-(4-fluorophenyl)-6-keto-2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]-1-methyl-pyrimidine-5-carboxamide Formula: C18H16FN5O4S MolecularWeight: 417.414143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=NC=C(C(=O)N2C)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=NC=C(C(=O)N2C)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN5O4S/c1-10-7-14(23-28-10)22-15(25)9-29-18-20-8-13(17(27)24(18)2)16(26)21-12-5-3-11(19)4-6-12/h3-8H,9H2,1-2H3,(H,21,26)(H,22,23,25)