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

Systemtic Name: 4-azanyl-2-[(4-tert-butylphenoxy)methyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(4-tert-butylphenoxy)methyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(4-tert-butylphenoxy)methyl]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(4-tert-butylphenoxy)methyl]-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(4-tert-butylphenoxy)methyl]-6-(methylthio)pyrimidine-5-carbonitrile Formula: C17H20N4OS MolecularWeight: 328.4319

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS/c1-17(2,3)11-5-7-12(8-6-11)22-10-14-20-15(19)13(9-18)16(21-14)23-4/h5-8H,10H2,1-4H3,(H2,19,20,21)