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

Systemtic Name: 5-[[4-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(3-phenoxypropoxy)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(3-phenoxypropoxy)benzyl]pyrimidin-4-yl]amine Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)CC3=CN=C(N=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C20H22N4O2/c21-19-16(14-23-20(22)24-19)13-15-7-9-18(10-8-15)26-12-4-11-25-17-5-2-1-3-6-17/h1-3,5-10,14H,4,11-13H2,(H4,21,22,23,24)