5-[[3,5-dimethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3,5-dimethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,5-dimethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-dimethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,5-dimethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,5-dimethoxy-4-(4-nitrobenzyl)oxy-benzyl]pyrimidin-4-yl]amine Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])OC)CC3=CN=C(N=C3N)N

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])OC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C20H21N5O5/c1-28-16-8-13(7-14-10-23-20(22)24-19(14)21)9-17(29-2)18(16)30-11-12-3-5-15(6-4-12)25(26)27/h3-6,8-10H,7,11H2,1-2H3,(H4,21,22,23,24)