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

Systemtic Name: 5-[[4-(3-phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(3-phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(3-phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(3-phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(3-phenylpropoxy)benzyl]pyrimidin-4-yl]amine Formula: C20H22N4O MolecularWeight: 334.41488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=C(C=C2)CC3=CN=C(N=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=C(C=C2)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C20H22N4O/c21-19-17(14-23-20(22)24-19)13-16-8-10-18(11-9-16)25-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,14H,4,7,12-13H2,(H4,21,22,23,24)