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

Systemtic Name: 5-[[3,5-diethoxy-4-(3-nitrophenyl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,5-diethoxy-4-(3-nitrophenyl)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-diethoxy-4-(3-nitrophenyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,5-diethoxy-4-(3-nitrophenyl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,5-diethoxy-4-(3-nitrophenyl)benzyl]pyrimidin-4-yl]amine Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-3-29-17-9-13(8-15-12-24-21(23)25-20(15)22)10-18(30-4-2)19(17)14-6-5-7-16(11-14)26(27)28/h5-7,9-12H,3-4,8H2,1-2H3,(H4,22,23,24,25)