N-(4-fluorophenyl)-4-[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine

Systemtic Name: N-(4-fluorophenyl)-4-[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine Openeye Name: N-(4-fluorophenyl)-4-[4-methyl-2-(4-nitrophenyl)thiazol-5-yl]pyrimidin-2-amine CAS Name: N-(4-fluorophenyl)-4-[4-methyl-2-(4-nitrophenyl)-5-thiazolyl]-2-pyrimidinamine IUPAC Name: N-(4-fluorophenyl)-4-[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine Traditional Name: (4-fluorophenyl)-[4-[4-methyl-2-(4-nitrophenyl)thiazol-5-yl]pyrimidin-2-yl]amine Formula: C20H14FN5O2S MolecularWeight: 407.420863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NC=C3)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NC=C3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C20H14FN5O2S/c1-12-18(29-19(23-12)13-2-8-16(9-3-13)26(27)28)17-10-11-22-20(25-17)24-15-6-4-14(21)5-7-15/h2-11H,1H3,(H,22,24,25)