1-Allyl-3-[(4-chloro-phenylamino)-(2,6-dimethyl-pyrimidin-4-ylamino)-methylene]-thiourea

SpectraBase Compound ID	CCDYpfarw9n
InChI	InChI=1S/C17H19ClN6S/c1-4-9-19-17(25)24-16(22-14-7-5-13(18)6-8-14)23-15-10-11(2)20-12(3)21-15/h4-8,10H,1,9H2,2-3H3,(H3,19,20,21,22,23,24,25)
InChIKey	LBWRQRRIXDLLOG-UHFFFAOYSA-N Google Search
Mol Weight	374.89 g/mol
Molecular Formula	C17H19ClN6S
Exact Mass	374.108044 g/mol

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SpectraBase Spectrum ID	A4zb95pNla6
Name	1-Allyl-3-[(4-chloro-phenylamino)-(2,6-dimethyl-pyrimidin-4-ylamino)-methylene]-thiourea
Alternate Name(s)	(1E)-1-[(4-chloroanilino)-[(2,6-dimethyl-4-pyrimidinyl)amino]methylidene]-3-prop-2-enylthiourea (1E)-1-[(4-chloroanilino)-[(2,6-dimethylpyrimidin-4-yl)amino]methylidene]-3-prop-2-enylthiourea (1E)-1-[[(4-chlorophenyl)amino]-[(2,6-dimethylpyrimidin-4-yl)amino]methylidene]-3-prop-2-enyl-thiourea (1Z)-1-[(4-chloroanilino)-[(2,6-dimethyl-4-pyrimidinyl)amino]methylidene]-3-prop-2-enylthiourea (1Z)-1-[(4-chloroanilino)-[(2,6-dimethylpyrimidin-4-yl)amino]methylidene]-3-prop-2-enylthiourea (1Z)-1-[[(4-chlorophenyl)amino]-[(2,6-dimethylpyrimidin-4-yl)amino]methylidene]-3-prop-2-enyl-thiourea (3E)-1-allyl-3-[(4-chloroanilino)-[(2,6-dimethylpyrimidin-4-yl)amino]methylene]thiourea (3Z)-1-allyl-3-[(4-chloroanilino)-[(2,6-dimethylpyrimidin-4-yl)amino]methylene]thiourea
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Formula	C17H19ClN6S
InChI	InChI=1S/C17H19ClN6S/c1-4-9-19-17(25)24-16(22-14-7-5-13(18)6-8-14)23-15-10-11(2)20-12(3)21-15/h4-8,10H,1,9H2,2-3H3,(H3,19,20,21,22,23,24,25)
InChIKey	LBWRQRRIXDLLOG-UHFFFAOYSA-N
Molecular Weight	374.894 g/mol
SMILES	N(C(\N=C/(Nc1cc(nc(n1)C)C)Nc1ccc(cc1)Cl)=S)CC=C
SPLASH	splash10-0aba-1964000000-a20bdae0642edabf7464
Wiley ID	1466079