4-azanyl-2-[(2-chloranylphenoxy)methyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(2-chloranylphenoxy)methyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(2-chlorophenoxy)methyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(2-chlorophenoxy)methyl]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(2-chlorophenoxy)methyl]-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(2-chlorophenoxy)methyl]-6-(methylthio)pyrimidine-5-carbonitrile Formula: C13H11ClN4OS MolecularWeight: 306.77064

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)N)COC2=CC=CC=C2Cl

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)N)COC2=CC=CC=C2Cl

InChI

InChI=1S/C13H11ClN4OS/c1-20-13-8(6-15)12(16)17-11(18-13)7-19-10-5-3-2-4-9(10)14/h2-5H,7H2,1H3,(H2,16,17,18)