5-[(3S)-3-[4-(2,6-dimethylphenyl)-3-methoxy-phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[(3S)-3-[4-(2,6-dimethylphenyl)-3-methoxy-phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine Openeye Name: 5-[(3S)-3-[4-(2,6-dimethylphenyl)-3-methoxy-phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine CAS Name: 5-[(3S)-3-[4-(2,6-dimethylphenyl)-3-methoxyphenyl]but-1-ynyl]-6-methylpyrimidine-2,4-diamine IUPAC Name: 5-[(3S)-3-[4-(2,6-dimethylphenyl)-3-methoxyphenyl]but-1-ynyl]-6-methylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(3S)-3-[4-(2,6-dimethylphenyl)-3-methoxy-phenyl]but-1-ynyl]-6-methyl-pyrimidin-4-yl]amine Formula: C24H26N4O MolecularWeight: 386.48944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=C(C=C(C=C2)C(C)C#CC3=C(N=C(N=C3N)N)C)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C(C=C(C=C2)[C@H](C)C#CC3=C(N=C(N=C3N)N)C)OC

InChI

InChI=1S/C24H26N4O/c1-14(9-11-19-17(4)27-24(26)28-23(19)25)18-10-12-20(21(13-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,10,12-14H,1-5H3,(H4,25,26,27,28)/t14-/m1/s1