5-[[3-ethoxy-4-(4-methoxyphenyl)-5-propoxy-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3-ethoxy-4-(4-methoxyphenyl)-5-propoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-ethoxy-4-(4-methoxyphenyl)-5-propoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-ethoxy-4-(4-methoxyphenyl)-5-propoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-ethoxy-4-(4-methoxyphenyl)-5-propoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-ethoxy-4-(4-methoxyphenyl)-5-propoxy-benzyl]pyrimidin-4-yl]amine Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC(=C1C2=CC=C(C=C2)OC)OCC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCCOC1=CC(=CC(=C1C2=CC=C(C=C2)OC)OCC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C23H28N4O3/c1-4-10-30-20-13-15(11-17-14-26-23(25)27-22(17)24)12-19(29-5-2)21(20)16-6-8-18(28-3)9-7-16/h6-9,12-14H,4-5,10-11H2,1-3H3,(H4,24,25,26,27)