N-(3-chloranyl-4-fluoranyl-phenyl)-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-(methylthio)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-(methylthio)pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C13H9ClFN5S MolecularWeight: 321.760463

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CSC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C13H9ClFN5S/c1-21-13-16-5-10-11(20-13)12(18-6-17-10)19-7-2-3-9(15)8(14)4-7/h2-6H,1H3,(H,17,18,19)