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

Systemtic Name: 5-[[3-(3,4-dimethoxyphenyl)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-(3,4-dimethoxyphenyl)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-(3,4-dimethoxyphenyl)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-(3,4-dimethoxyphenyl)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-(3,4-dimethoxyphenyl)-4,5-dimethoxy-benzyl]pyrimidin-4-yl]amine Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=CC(=C2OC)OC)CC3=CN=C(N=C3N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=CC(=C2OC)OC)CC3=CN=C(N=C3N)N)OC

InChI

InChI=1S/C21H24N4O4/c1-26-16-6-5-13(10-17(16)27-2)15-8-12(9-18(28-3)19(15)29-4)7-14-11-24-21(23)25-20(14)22/h5-6,8-11H,7H2,1-4H3,(H4,22,23,24,25)