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

Systemtic Name: N4-(6-azanylhexyl)-N2-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-(6-aminohexyl)-N2-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-(6-aminohexyl)-N2-[(2-chlorophenyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-(6-aminohexyl)-2-N-[(2-chlorophenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: 6-aminohexyl-[2-[(2-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H23ClN6O2 MolecularWeight: 378.85652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC=C(C(=N2)NCCCCCCN)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC=C(C(=N2)NCCCCCCN)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H23ClN6O2/c18-14-8-4-3-7-13(14)11-21-17-22-12-15(24(25)26)16(23-17)20-10-6-2-1-5-9-19/h3-4,7-8,12H,1-2,5-6,9-11,19H2,(H2,20,21,22,23)