4-[3-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]phenyl]-6-methanethioyl-2-methyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[3-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]phenyl]-6-methanethioyl-2-methyl-pyrimidine-5-carbonitrile Openeye Name: 4-[3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]phenyl]-6-methanethioyl-2-methyl-pyrimidine-5-carbonitrile CAS Name: 4-[3-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]phenyl]-6-methanethioyl-2-methyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]-6-methanethioyl-2-methylpyrimidine-5-carbonitrile Traditional Name: 4-[3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]phenyl]-2-methyl-6-thioformyl-pyrimidine-5-carbonitrile Formula: C17H10ClFN6S MolecularWeight: 384.817903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)C=S)C#N)C2=CC(=CC=C2)NC3=NC(=NC=C3F)Cl

Isomeric SMILES

CC1=NC(=C(C(=N1)C=S)C#N)C2=CC(=CC=C2)NC3=NC(=NC=C3F)Cl

InChI

InChI=1S/C17H10ClFN6S/c1-9-22-14(8-26)12(6-20)15(23-9)10-3-2-4-11(5-10)24-16-13(19)7-21-17(18)25-16/h2-5,7-8H,1H3,(H,21,24,25)