5-[4-(3-azanylpropylamino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[4-(3-azanylpropylamino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-(3-aminopropylamino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-(3-aminopropylamino)-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-(3-aminopropylamino)-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: 3-aminopropyl-[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]amine Formula: C15H21N7O2 MolecularWeight: 331.37294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCCCN)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCCCN)[N+](=O)[O-]

InChI

InChI=1S/C15H21N7O2/c1-2-10-13(14(17)21-15(18)20-10)9-4-5-11(19-7-3-6-16)12(8-9)22(23)24/h4-5,8,19H,2-3,6-7,16H2,1H3,(H4,17,18,20,21)