N2-(4-chlorophenyl)-N4-[3-(diethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-[3-(diethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-[3-(diethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[3-(diethylamino)propyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-[3-(diethylamino)propyl]-5-nitropyrimidine-2,4-diamine Traditional Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propyl-diethyl-amine Formula: C17H23ClN6O2 MolecularWeight: 378.85652

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCN(CC)CCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H23ClN6O2/c1-3-23(4-2)11-5-10-19-16-15(24(25)26)12-20-17(22-16)21-14-8-6-13(18)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H2,19,20,21,22)