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

Systemtic Name: 5-[[4-(3-aminophenyl)-3,5-dipropoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(3-aminophenyl)-3,5-dipropoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(3-aminophenyl)-3,5-dipropoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(3-aminophenyl)-3,5-dipropoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(3-aminophenyl)-3,5-dipropoxy-benzyl]pyrimidin-4-yl]amine Formula: C23H29N5O2 MolecularWeight: 407.50866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O2/c1-3-8-29-19-11-15(10-17-14-27-23(26)28-22(17)25)12-20(30-9-4-2)21(19)16-6-5-7-18(24)13-16/h5-7,11-14H,3-4,8-10,24H2,1-2H3,(H4,25,26,27,28)