5-[1-[4-(4-aminophenyl)-3-ethoxy-phenyl]-2-phenylmethoxy-ethyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[1-[4-(4-aminophenyl)-3-ethoxy-phenyl]-2-phenylmethoxy-ethyl]pyrimidine-2,4-diamine Openeye Name: 5-[1-[4-(4-aminophenyl)-3-ethoxy-phenyl]-2-benzyloxy-ethyl]pyrimidine-2,4-diamine CAS Name: 5-[1-[4-(4-aminophenyl)-3-ethoxyphenyl]-2-phenylmethoxyethyl]pyrimidine-2,4-diamine IUPAC Name: 5-[1-[4-(4-aminophenyl)-3-ethoxyphenyl]-2-phenylmethoxyethyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[1-[4-(4-aminophenyl)-3-ethoxy-phenyl]-2-benzoxy-ethyl]pyrimidin-4-yl]amine Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(COCC2=CC=CC=C2)C3=CN=C(N=C3N)N)C4=CC=C(C=C4)N

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(COCC2=CC=CC=C2)C3=CN=C(N=C3N)N)C4=CC=C(C=C4)N

InChI

InChI=1S/C27H29N5O2/c1-2-34-25-14-20(10-13-22(25)19-8-11-21(28)12-9-19)24(23-15-31-27(30)32-26(23)29)17-33-16-18-6-4-3-5-7-18/h3-15,24H,2,16-17,28H2,1H3,(H4,29,30,31,32)