N-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylprop-1-en-2-yl]aniline hydrate

Systemtic Name: N-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylprop-1-en-2-yl]aniline hydrate Openeye Name: N-[1-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]vinyl]aniline hydrate CAS Name: N-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]prop-1-en-2-yl]aniline hydrate IUPAC Name: N-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylprop-1-en-2-yl]aniline hydrate Traditional Name: 1-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]vinyl-phenyl-amine hydrate Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=C)NC2=CC=CC=C2)C.O

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=C)NC2=CC=CC=C2)C.O

InChI

InChI=1S/C15H17N3S.H2O/c1-11-9-12(2)18-15(17-11)19-10-13(3)16-14-7-5-4-6-8-14;/h4-9,16H,3,10H2,1-2H3;1H2