5-(4-nitrophenyl)-6-propyl-pyrimidine-2,4-diamine

Systemtic Name: 5-(4-nitrophenyl)-6-propyl-pyrimidine-2,4-diamine Openeye Name: 5-(4-nitrophenyl)-6-propyl-pyrimidine-2,4-diamine CAS Name: 5-(4-nitrophenyl)-6-propylpyrimidine-2,4-diamine IUPAC Name: 5-(4-nitrophenyl)-6-propylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-(4-nitrophenyl)-6-propyl-pyrimidin-4-yl]amine Formula: C13H15N5O2 MolecularWeight: 273.2905

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O2/c1-2-3-10-11(12(14)17-13(15)16-10)8-4-6-9(7-5-8)18(19)20/h4-7H,2-3H2,1H3,(H4,14,15,16,17)