5-[[3-[3-(4-azanylphenoxy)propoxy]-4-methoxy-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3-[3-(4-azanylphenoxy)propoxy]-4-methoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-[3-(4-aminophenoxy)propoxy]-4-methoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-[3-(4-aminophenoxy)propoxy]-4-methoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-[3-(4-aminophenoxy)propoxy]-4-methoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-[3-(4-aminophenoxy)propoxy]-4-methoxy-benzyl]pyrimidin-4-yl]amine Formula: C21H25N5O3 MolecularWeight: 395.4549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OCCCOC3=CC=C(C=C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OCCCOC3=CC=C(C=C3)N

InChI

InChI=1S/C21H25N5O3/c1-27-18-8-3-14(11-15-13-25-21(24)26-20(15)23)12-19(18)29-10-2-9-28-17-6-4-16(22)5-7-17/h3-8,12-13H,2,9-11,22H2,1H3,(H4,23,24,25,26)