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

Systemtic Name: 5-[[3,5-diethoxy-4-(4-methyl-3-nitro-phenyl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,5-diethoxy-4-(4-methyl-3-nitro-phenyl)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-diethoxy-4-(4-methyl-3-nitrophenyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,5-diethoxy-4-(4-methyl-3-nitrophenyl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,5-diethoxy-4-(4-methyl-3-nitro-phenyl)benzyl]pyrimidin-4-yl]amine Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC(=C(C=C2)C)[N+](=O)[O-])OCC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC(=C(C=C2)C)[N+](=O)[O-])OCC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C22H25N5O4/c1-4-30-18-9-14(8-16-12-25-22(24)26-21(16)23)10-19(31-5-2)20(18)15-7-6-13(3)17(11-15)27(28)29/h6-7,9-12H,4-5,8H2,1-3H3,(H4,23,24,25,26)