N4-(7-azanylheptyl)-N2-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-(7-azanylheptyl)-N2-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-(7-aminoheptyl)-N2-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-(7-aminoheptyl)-N2-[(2-chlorophenyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-(7-aminoheptyl)-2-N-[(2-chlorophenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: 7-aminoheptyl-[2-[(2-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H25ClN6O2 MolecularWeight: 392.8831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN6O2/c19-15-9-5-4-8-14(15)12-22-18-23-13-16(25(26)27)17(24-18)21-11-7-3-1-2-6-10-20/h4-5,8-9,13H,1-3,6-7,10-12,20H2,(H2,21,22,23,24)