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

Systemtic Name: 3,4-dimethoxy-5-(2-naphthalen-2-ylethynyl)-6-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: 6-benzyl-3,4-dimethoxy-5-[2-(2-naphthyl)ethynyl]pyrimidine-2,4-diamine CAS Name: 3,4-dimethoxy-5-[2-(2-naphthalenyl)ethynyl]-6-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 6-benzyl-3,4-dimethoxy-5-(2-naphthalen-2-ylethynyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-benzyl-3,4-dimethoxy-5-[2-(2-naphthyl)ethynyl]pyrimidin-4-yl]amine Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(=C(N=C(N1OC)N)CC2=CC=CC=C2)C#CC3=CC4=CC=CC=C4C=C3)N

Isomeric SMILES

COC1(C(=C(N=C(N1OC)N)CC2=CC=CC=C2)C#CC3=CC4=CC=CC=C4C=C3)N

InChI

InChI=1S/C25H24N4O2/c1-30-25(27)22(15-13-19-12-14-20-10-6-7-11-21(20)16-19)23(28-24(26)29(25)31-2)17-18-8-4-3-5-9-18/h3-12,14,16H,17,27H2,1-2H3,(H2,26,28)