5-[[3-(1-cyclopropyl-2-phenylmethoxy-ethoxy)-5-ethoxy-4-(4-methoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3-(1-cyclopropyl-2-phenylmethoxy-ethoxy)-5-ethoxy-4-(4-methoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-(2-benzyloxy-1-cyclopropyl-ethoxy)-5-ethoxy-4-(4-methoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-(1-cyclopropyl-2-phenylmethoxyethoxy)-5-ethoxy-4-(4-methoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-(1-cyclopropyl-2-phenylmethoxyethoxy)-5-ethoxy-4-(4-methoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-(2-benzoxy-1-cyclopropyl-ethoxy)-5-ethoxy-4-(4-methoxyphenyl)benzyl]pyrimidin-4-yl]amine Formula: C32H36N4O4 MolecularWeight: 540.65264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OC(COCC3=CC=CC=C3)C4CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OC(COCC3=CC=CC=C3)C4CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C32H36N4O4/c1-3-39-27-16-22(15-25-18-35-32(34)36-31(25)33)17-28(30(27)24-11-13-26(37-2)14-12-24)40-29(23-9-10-23)20-38-19-21-7-5-4-6-8-21/h4-8,11-14,16-18,23,29H,3,9-10,15,19-20H2,1-2H3,(H4,33,34,35,36)