N-[4-chloranyl-3-(3-methylbut-2-enoxy)phenyl]-4-methylsulfanyl-pyrimidin-2-amine

Systemtic Name: N-[4-chloranyl-3-(3-methylbut-2-enoxy)phenyl]-4-methylsulfanyl-pyrimidin-2-amine Openeye Name: N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-4-methylsulfanyl-pyrimidin-2-amine CAS Name: N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-4-(methylthio)-2-pyrimidinamine IUPAC Name: N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-4-methylsulfanylpyrimidin-2-amine Traditional Name: [4-chloro-3-(3-methylbut-2-enoxy)phenyl]-[4-(methylthio)pyrimidin-2-yl]amine Formula: C16H18ClN3OS MolecularWeight: 335.85162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=C(C=CC(=C1)NC2=NC=CC(=N2)SC)Cl)C

Isomeric SMILES

CC(=CCOC1=C(C=CC(=C1)NC2=NC=CC(=N2)SC)Cl)C

InChI

InChI=1S/C16H18ClN3OS/c1-11(2)7-9-21-14-10-12(4-5-13(14)17)19-16-18-8-6-15(20-16)22-3/h4-8,10H,9H2,1-3H3,(H,18,19,20)