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

Systemtic Name: N4-[3-(3-azanylpropoxy)propyl]-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[3-(3-aminopropoxy)propyl]-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[3-(3-aminopropoxy)propyl]-N2-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[3-(3-aminopropoxy)propyl]-2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: 3-(3-aminopropoxy)propyl-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H21ClN6O3 MolecularWeight: 380.82934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCCOCCCN)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCCOCCCN)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H21ClN6O3/c17-12-3-5-13(6-4-12)21-16-20-11-14(23(24)25)15(22-16)19-8-2-10-26-9-1-7-18/h3-6,11H,1-2,7-10,18H2,(H2,19,20,21,22)