2-[(4-tert-butylphenoxy)methyl]-4-cyclopropyl-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-tert-butylphenoxy)methyl]-4-cyclopropyl-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-tert-butylphenoxy)methyl]-4-cyclopropyl-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-[(4-tert-butylphenoxy)methyl]-4-cyclopropyl-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-[(4-tert-butylphenoxy)methyl]-4-cyclopropyl-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-[(4-tert-butylphenoxy)methyl]-4-cyclopropyl-6-(methylthio)pyrimidine-5-carbonitrile Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=C(C(=N2)SC)C#N)C3CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=C(C(=N2)SC)C#N)C3CC3

InChI

InChI=1S/C20H23N3OS/c1-20(2,3)14-7-9-15(10-8-14)24-12-17-22-18(13-5-6-13)16(11-21)19(23-17)25-4/h7-10,13H,5-6,12H2,1-4H3