2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3-fluoro-4-methoxy-benzyl)thio]pyrimidin-4-yl]amine Formula: C12H13FN4OS MolecularWeight: 280.321223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC(=CC(=N2)N)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC(=CC(=N2)N)N)F

InChI

InChI=1S/C12H13FN4OS/c1-18-9-3-2-7(4-8(9)13)6-19-12-16-10(14)5-11(15)17-12/h2-5H,6H2,1H3,(H4,14,15,16,17)