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

Systemtic Name: 5-[[3-ethoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-ethoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-ethoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-ethoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-ethoxy-4-[3-(3-phenoxypropoxy)propoxy]benzyl]pyrimidin-4-yl]amine Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC2=CN=C(N=C2N)N)OCCCOCCCOC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC2=CN=C(N=C2N)N)OCCCOCCCOC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O4/c1-2-31-23-17-19(16-20-18-28-25(27)29-24(20)26)10-11-22(23)33-15-7-13-30-12-6-14-32-21-8-4-3-5-9-21/h3-5,8-11,17-18H,2,6-7,12-16H2,1H3,(H4,26,27,28,29)