5-[(3,5-ditert-butyl-4-methoxy-phenyl)methyl]-6-methylsulfanyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[(3,5-ditert-butyl-4-methoxy-phenyl)methyl]-6-methylsulfanyl-pyrimidine-2,4-diamine Openeye Name: 5-[(3,5-ditert-butyl-4-methoxy-phenyl)methyl]-6-methylsulfanyl-pyrimidine-2,4-diamine CAS Name: 5-[(3,5-ditert-butyl-4-methoxyphenyl)methyl]-6-(methylthio)pyrimidine-2,4-diamine IUPAC Name: 5-[(3,5-ditert-butyl-4-methoxyphenyl)methyl]-6-methylsulfanylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3,5-ditert-butyl-4-methoxy-benzyl)-6-(methylthio)pyrimidin-4-yl]amine Formula: C21H32N4OS MolecularWeight: 388.56998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)CC2=C(N=C(N=C2SC)N)N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)CC2=C(N=C(N=C2SC)N)N

InChI

InChI=1S/C21H32N4OS/c1-20(2,3)14-10-12(11-15(16(14)26-7)21(4,5)6)9-13-17(22)24-19(23)25-18(13)27-8/h10-11H,9H2,1-8H3,(H4,22,23,24,25)