Dutacatib

Category	SARS-CoV
CAS	501000-36-8

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Synonyms	DUTACATIB;501000-36-8;Dutacatib [INN];N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide;L3M76J6S37;Benzamide,N-[[2-cyano-4-[(2,2-dimethylpropyl)amino]-5-pyrimidinyl]methyl]-4-(4-methyl-1-piperazinyl)-;N-((2-Cyano-4-(neopentylamino)pyrimidin-5-yl)methyl)-4-(4-methylpiperazin-1-yl)benzamide;UNII-L3M76J6S37;SCHEMBL4577579;DTXSID60964518;PD129552;DB-071109;HY-100701;CS-0020002;Q27282659;N-((2-CYANO-4-((2,2-DIMETHYLPROPYL)AMINO)PYRIMIDIN-5-YL)METHYL)-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE;N-({2-Cyano-4-[(2,2-dimethylpropyl)imino]-1,4-dihydropyrimidin-5-yl}methyl)-4-(4-methylpiperazin-1-yl)benzamide;
IUPAC Name	N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide
Molecular Weight	252.26
Molecular Formula	C16H12O3
Canonical SMILES	COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CC=C3)/O2
InChI	InChI=1S/C23H31N7O/c1-23(2,3)16-27-21-18(14-25-20(13-24)28-21)15-26-22(31)17-5-7-19(8-6-17)30-11-9-29(4)10-12-30/h5-8,14H,9-12,15-16H2,1-4H3,(H,26,31)(H,25,27,28)
InChIKey	IRWDVLZZYSYUAI-UHFFFAOYSA-N
Density	1.21
Appearance	Solid
Storage	4°C, sealed storage, away from moisture *In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)