N-(3-chloranyl-4-fluoranyl-phenyl)-2-methyl-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-methyl-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-methyl-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-2-methyl-6-(methylthio)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-methyl-6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[2-methyl-6-(methylthio)pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C14H11ClFN5S MolecularWeight: 335.787043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CN=C(N=C2C(=N1)NC3=CC(=C(C=C3)F)Cl)SC

Isomeric SMILES

CC1=NC2=CN=C(N=C2C(=N1)NC3=CC(=C(C=C3)F)Cl)SC

InChI

InChI=1S/C14H11ClFN5S/c1-7-18-11-6-17-14(22-2)21-12(11)13(19-7)20-8-3-4-10(16)9(15)5-8/h3-6H,1-2H3,(H,18,19,20)