5-[[4-(3-azanyl-4-methoxy-phenyl)-3-ethoxy-5-phenylmethoxy-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[4-(3-azanyl-4-methoxy-phenyl)-3-ethoxy-5-phenylmethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(3-amino-4-methoxy-phenyl)-3-benzyloxy-5-ethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(3-amino-4-methoxyphenyl)-3-ethoxy-5-phenylmethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(3-amino-4-methoxyphenyl)-3-ethoxy-5-phenylmethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(3-amino-4-methoxy-phenyl)-3-benzoxy-5-ethoxy-benzyl]pyrimidin-4-yl]amine Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC(=C(C=C2)OC)N)OCC3=CC=CC=C3)CC4=CN=C(N=C4N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC(=C(C=C2)OC)N)OCC3=CC=CC=C3)CC4=CN=C(N=C4N)N

InChI

InChI=1S/C27H29N5O3/c1-3-34-23-12-18(11-20-15-31-27(30)32-26(20)29)13-24(35-16-17-7-5-4-6-8-17)25(23)19-9-10-22(33-2)21(28)14-19/h4-10,12-15H,3,11,16,28H2,1-2H3,(H4,29,30,31,32)