1-(3-azanyl-5-methyl-pyrazol-1-yl)-2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(3-azanyl-5-methyl-pyrazol-1-yl)-2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(3-amino-5-methyl-pyrazol-1-yl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(3-amino-5-methyl-1-pyrazolyl)-2-[[4-(4-fluoroanilino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(3-amino-5-methylpyrazol-1-yl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(3-amino-5-methyl-pyrazol-1-yl)-2-[[4-(4-fluoroanilino)quinazolin-2-yl]thio]ethanone Formula: C20H17FN6OS MolecularWeight: 408.451983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)F)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)F)N

InChI

InChI=1S/C20H17FN6OS/c1-12-10-17(22)26-27(12)18(28)11-29-20-24-16-5-3-2-4-15(16)19(25-20)23-14-8-6-13(21)7-9-14/h2-10H,11H2,1H3,(H2,22,26)(H,23,24,25)