5-[[4-(4-aminophenyl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[4-(4-aminophenyl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(4-aminophenyl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(4-aminophenyl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(4-aminophenyl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(4-aminophenyl)-3,5-diethoxy-benzyl]pyrimidin-4-yl]amine Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC=C(C=C2)N)OCC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC=C(C=C2)N)OCC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C21H25N5O2/c1-3-27-17-10-13(9-15-12-25-21(24)26-20(15)23)11-18(28-4-2)19(17)14-5-7-16(22)8-6-14/h5-8,10-12H,3-4,9,22H2,1-2H3,(H4,23,24,25,26)