3,4-dimethoxy-5-(2-phenylethynyl)-6-(phenylmethyl)pyrimidine-2,4-diamine

Systemtic Name: 3,4-dimethoxy-5-(2-phenylethynyl)-6-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: 6-benzyl-3,4-dimethoxy-5-(2-phenylethynyl)pyrimidine-2,4-diamine CAS Name: 3,4-dimethoxy-5-(2-phenylethynyl)-6-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 6-benzyl-3,4-dimethoxy-5-(2-phenylethynyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-benzyl-3,4-dimethoxy-5-(2-phenylethynyl)pyrimidin-4-yl]amine Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(=C(N=C(N1OC)N)CC2=CC=CC=C2)C#CC3=CC=CC=C3)N

Isomeric SMILES

COC1(C(=C(N=C(N1OC)N)CC2=CC=CC=C2)C#CC3=CC=CC=C3)N

InChI

InChI=1S/C21H22N4O2/c1-26-21(23)18(14-13-16-9-5-3-6-10-16)19(24-20(22)25(21)27-2)15-17-11-7-4-8-12-17/h3-12H,15,23H2,1-2H3,(H2,22,24)