5-(4-chlorophenyl)-6-[(3-nitrophenoxy)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-(4-chlorophenyl)-6-[(3-nitrophenoxy)methyl]pyrimidine-2,4-diamine Openeye Name: 5-(4-chlorophenyl)-6-[(3-nitrophenoxy)methyl]pyrimidine-2,4-diamine CAS Name: 5-(4-chlorophenyl)-6-[(3-nitrophenoxy)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-(4-chlorophenyl)-6-[(3-nitrophenoxy)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(4-chlorophenyl)-6-[(3-nitrophenoxy)methyl]pyrimidin-4-yl]amine Formula: C17H14ClN5O3 MolecularWeight: 371.77776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN5O3/c18-11-6-4-10(5-7-11)15-14(21-17(20)22-16(15)19)9-26-13-3-1-2-12(8-13)23(24)25/h1-8H,9H2,(H4,19,20,21,22)