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

Systemtic Name: 5-[4-(diethylamino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-(diethylamino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-(diethylamino)-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-(diethylamino)-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-diethyl-amine Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O2/c1-4-11-14(15(17)20-16(18)19-11)10-7-8-12(21(5-2)6-3)13(9-10)22(23)24/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)