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

Systemtic Name: 5-[[3-methoxy-4-(4-phenoxybutoxy)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-methoxy-4-(4-phenoxybutoxy)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-methoxy-4-(4-phenoxybutoxy)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-methoxy-4-(4-phenoxybutoxy)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-methoxy-4-(4-phenoxybutoxy)benzyl]pyrimidin-4-yl]amine Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=CN=C(N=C2N)N)OCCCCOC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=CN=C(N=C2N)N)OCCCCOC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3/c1-27-20-14-16(13-17-15-25-22(24)26-21(17)23)9-10-19(20)29-12-6-5-11-28-18-7-3-2-4-8-18/h2-4,7-10,14-15H,5-6,11-13H2,1H3,(H4,23,24,25,26)