N4-(6-azanylhexyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-(6-azanylhexyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-(6-aminohexyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-(6-aminohexyl)-N2-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-(6-aminohexyl)-2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: 6-aminohexyl-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H21ClN6O2 MolecularWeight: 364.82994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN6O2/c17-12-5-7-13(8-6-12)21-16-20-11-14(23(24)25)15(22-16)19-10-4-2-1-3-9-18/h5-8,11H,1-4,9-10,18H2,(H2,19,20,21,22)