N4-(3-azanylpropyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-(3-azanylpropyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-(3-aminopropyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-(3-aminopropyl)-N2-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-(3-aminopropyl)-2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: 3-aminopropyl-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H15ClN6O2 MolecularWeight: 322.7502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN6O2/c14-9-2-4-10(5-3-9)18-13-17-8-11(20(21)22)12(19-13)16-7-1-6-15/h2-5,8H,1,6-7,15H2,(H2,16,17,18,19)