1-[4-[(6-methyl-2-methylsulfanyl-5-prop-2-enyl-pyrimidin-4-yl)amino]phenyl]ethanone

Systemtic Name: 1-[4-[(6-methyl-2-methylsulfanyl-5-prop-2-enyl-pyrimidin-4-yl)amino]phenyl]ethanone Openeye Name: 1-[4-[(5-allyl-6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl]ethanone CAS Name: 1-[4-[[6-methyl-2-(methylthio)-5-prop-2-enyl-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[(6-methyl-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-yl)amino]phenyl]ethanone Traditional Name: 1-[4-[[5-allyl-6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)NC2=CC=C(C=C2)C(=O)C)CC=C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)NC2=CC=C(C=C2)C(=O)C)CC=C

InChI

InChI=1S/C17H19N3OS/c1-5-6-15-11(2)18-17(22-4)20-16(15)19-14-9-7-13(8-10-14)12(3)21/h5,7-10H,1,6H2,2-4H3,(H,18,19,20)