5-[[4-(6-azanylpyridin-3-yl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[4-(6-azanylpyridin-3-yl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(6-amino-3-pyridyl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(6-amino-3-pyridinyl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(6-aminopyridin-3-yl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(6-amino-3-pyridyl)-3,5-diethoxy-benzyl]pyrimidin-4-yl]amine Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O2/c1-3-27-15-8-12(7-14-11-25-20(23)26-19(14)22)9-16(28-4-2)18(15)13-5-6-17(21)24-10-13/h5-6,8-11H,3-4,7H2,1-2H3,(H2,21,24)(H4,22,23,25,26)