5-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(4-amino-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(4-amino-6-methyl-2-pyrimidinyl)thio]methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(4-amino-6-methyl-pyrimidin-2-yl)thio]methyl]-N-(4-fluorobenzyl)-1,3,4-thiadiazole-2-carboxamide Formula: C16H15FN6OS2 MolecularWeight: 390.458303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(S2)C(=O)NCC3=CC=C(C=C3)F)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(S2)C(=O)NCC3=CC=C(C=C3)F)N

InChI

InChI=1S/C16H15FN6OS2/c1-9-6-12(18)21-16(20-9)25-8-13-22-23-15(26-13)14(24)19-7-10-2-4-11(17)5-3-10/h2-6H,7-8H2,1H3,(H,19,24)(H2,18,20,21)