5-[3-(4-chlorophenyl)-3-methyl-but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[3-(4-chlorophenyl)-3-methyl-but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine Openeye Name: 5-[3-(4-chlorophenyl)-3-methyl-but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine CAS Name: 5-[3-(4-chlorophenyl)-3-methylbut-1-ynyl]-6-methylpyrimidine-2,4-diamine IUPAC Name: 5-[3-(4-chlorophenyl)-3-methylbut-1-ynyl]-6-methylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-(4-chlorophenyl)-3-methyl-but-1-ynyl]-6-methyl-pyrimidin-4-yl]amine Formula: C16H17ClN4 MolecularWeight: 300.78598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)C#CC(C)(C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)C#CC(C)(C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H17ClN4/c1-10-13(14(18)21-15(19)20-10)8-9-16(2,3)11-4-6-12(17)7-5-11/h4-7H,1-3H3,(H4,18,19,20,21)