4-(3-methoxy-4-propoxy-phenyl)-6-(4-methylpiperidin-1-yl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(3-methoxy-4-propoxy-phenyl)-6-(4-methylpiperidin-1-yl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(3-methoxy-4-propoxy-phenyl)-6-(4-methyl-1-piperidyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(3-methoxy-4-propoxyphenyl)-6-(4-methyl-1-piperidinyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(3-methoxy-4-propoxyphenyl)-6-(4-methylpiperidin-1-yl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(3-methoxy-4-propoxy-phenyl)-6-(4-methylpiperidino)-2-(methylthio)pyrimidine-5-carbonitrile Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=C(C(=NC(=N2)SC)N3CCC(CC3)C)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=C(C(=NC(=N2)SC)N3CCC(CC3)C)C#N)OC

InChI

InChI=1S/C22H28N4O2S/c1-5-12-28-18-7-6-16(13-19(18)27-3)20-17(14-23)21(25-22(24-20)29-4)26-10-8-15(2)9-11-26/h6-7,13,15H,5,8-12H2,1-4H3