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

Systemtic Name: 5-[[3-methoxy-4-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-methoxy-4-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-methoxy-4-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-methoxy-4-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-methoxy-4-(3-phenoxypropoxy)benzyl]pyrimidin-4-yl]amine Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-26-19-13-15(12-16-14-24-21(23)25-20(16)22)8-9-18(19)28-11-5-10-27-17-6-3-2-4-7-17/h2-4,6-9,13-14H,5,10-12H2,1H3,(H4,22,23,24,25)