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

Systemtic Name: 5-[[4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-[3-(3-phenoxypropoxy)propoxy]benzyl]pyrimidin-4-yl]amine Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCOCCCOC2=CC=C(C=C2)CC3=CN=C(N=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)OCCCOCCCOC2=CC=C(C=C2)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C23H28N4O3/c24-22-19(17-26-23(25)27-22)16-18-8-10-21(11-9-18)30-15-5-13-28-12-4-14-29-20-6-2-1-3-7-20/h1-3,6-11,17H,4-5,12-16H2,(H4,24,25,26,27)