4-chloranyl-6-(3-methoxy-4-propoxy-phenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-chloranyl-6-(3-methoxy-4-propoxy-phenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-chloro-6-(3-methoxy-4-propoxy-phenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-chloro-6-(3-methoxy-4-propoxyphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-chloro-6-(3-methoxy-4-propoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-chloro-6-(3-methoxy-4-propoxy-phenyl)-2-(methylthio)pyrimidine-5-carbonitrile Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=C(C(=NC(=N2)SC)Cl)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=C(C(=NC(=N2)SC)Cl)C#N)OC

InChI

InChI=1S/C16H16ClN3O2S/c1-4-7-22-12-6-5-10(8-13(12)21-2)14-11(9-18)15(17)20-16(19-14)23-3/h5-6,8H,4,7H2,1-3H3