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

Systemtic Name: 5-[[4-(4-azanyl-3-methoxy-phenyl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(4-amino-3-methoxy-phenyl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(4-amino-3-methoxyphenyl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(4-amino-3-methoxyphenyl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(4-amino-3-methoxy-phenyl)-3,5-diethoxy-benzyl]pyrimidin-4-yl]amine Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC(=C(C=C2)N)OC)OCC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC(=C(C=C2)N)OC)OCC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C22H27N5O3/c1-4-29-18-9-13(8-15-12-26-22(25)27-21(15)24)10-19(30-5-2)20(18)14-6-7-16(23)17(11-14)28-3/h6-7,9-12H,4-5,8,23H2,1-3H3,(H4,24,25,26,27)