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

Systemtic Name: 5-[[3,5-bis(iodanyl)-4-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,5-diiodo-4-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-diiodo-4-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,5-diiodo-4-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,5-diiodo-4-(3-phenoxypropoxy)benzyl]pyrimidin-4-yl]amine Formula: C20H20I2N4O2 MolecularWeight: 602.20734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2I)CC3=CN=C(N=C3N)N)I

Isomeric SMILES

C1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2I)CC3=CN=C(N=C3N)N)I

InChI

InChI=1S/C20H20I2N4O2/c21-16-10-13(9-14-12-25-20(24)26-19(14)23)11-17(22)18(16)28-8-4-7-27-15-5-2-1-3-6-15/h1-3,5-6,10-12H,4,7-9H2,(H4,23,24,25,26)