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

Systemtic Name: 5-[[4-(4-azanyl-3-methyl-phenyl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(4-amino-3-methyl-phenyl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(4-amino-3-methylphenyl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(4-amino-3-methylphenyl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(4-amino-3-methyl-phenyl)-3,5-diethoxy-benzyl]pyrimidin-4-yl]amine Formula: C22H27N5O2 MolecularWeight: 393.48208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2/c1-4-28-18-10-14(9-16-12-26-22(25)27-21(16)24)11-19(29-5-2)20(18)15-6-7-17(23)13(3)8-15/h6-8,10-12H,4-5,9,23H2,1-3H3,(H4,24,25,26,27)