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

Systemtic Name: 5-[(3S)-3-(3-methoxy-5-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine Openeye Name: 5-[(3S)-3-(3-methoxy-5-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine CAS Name: 5-[(3S)-3-(3-methoxy-5-phenylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine IUPAC Name: 5-[(3S)-3-(3-methoxy-5-phenylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(3S)-3-(3-methoxy-5-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidin-4-yl]amine Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)C#CC(C)C2=CC(=CC(=C2)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)C#C[C@@H](C)C2=CC(=CC(=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H22N4O/c1-14(9-10-20-15(2)25-22(24)26-21(20)23)17-11-18(13-19(12-17)27-3)16-7-5-4-6-8-16/h4-8,11-14H,1-3H3,(H4,23,24,25,26)/t14-/m1/s1