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

Systemtic Name: 5-[[3,4-dimethoxy-5-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,4-dimethoxy-5-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,4-dimethoxy-5-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,4-dimethoxy-5-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,4-dimethoxy-5-(3-phenoxypropoxy)benzyl]pyrimidin-4-yl]amine Formula: C22H26N4O4 MolecularWeight: 410.46624

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-27-18-12-15(11-16-14-25-22(24)26-21(16)23)13-19(20(18)28-2)30-10-6-9-29-17-7-4-3-5-8-17/h3-5,7-8,12-14H,6,9-11H2,1-2H3,(H4,23,24,25,26)