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

Systemtic Name: 5-[[3,5-diethoxy-4-(3-methyl-4-phenylmethoxy-phenyl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(4-benzyloxy-3-methyl-phenyl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-diethoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,5-diethoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(4-benzoxy-3-methyl-phenyl)-3,5-diethoxy-benzyl]pyrimidin-4-yl]amine Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O3/c1-4-34-25-15-21(14-23-17-32-29(31)33-28(23)30)16-26(35-5-2)27(25)22-11-12-24(19(3)13-22)36-18-20-9-7-6-8-10-20/h6-13,15-17H,4-5,14,18H2,1-3H3,(H4,30,31,32,33)