5-[[3,4-dimethoxy-5-(2-naphthalen-2-ylethynyl)phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3,4-dimethoxy-5-(2-naphthalen-2-ylethynyl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,4-dimethoxy-5-[2-(2-naphthyl)ethynyl]phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,4-dimethoxy-5-[2-(2-naphthalenyl)ethynyl]phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,4-dimethoxy-5-(2-naphthalen-2-ylethynyl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,4-dimethoxy-5-[2-(2-naphthyl)ethynyl]benzyl]pyrimidin-4-yl]amine Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C#CC3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C#CC3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C25H22N4O2/c1-30-22-14-17(13-21-15-28-25(27)29-24(21)26)12-20(23(22)31-2)10-8-16-7-9-18-5-3-4-6-19(18)11-16/h3-7,9,11-12,14-15H,13H2,1-2H3,(H4,26,27,28,29)