N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(4-butoxyphenyl)methyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(4-butoxyphenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(4-butoxyphenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(4-butoxyphenyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-2-N-[(4-butoxyphenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[2-[(4-butoxybenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C23H34N6O3 MolecularWeight: 442.55446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC2=NC=C(C(=N2)NCC3CCC(CC3)CN)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC2=NC=C(C(=N2)NCC3CCC(CC3)CN)[N+](=O)[O-]

InChI

InChI=1S/C23H34N6O3/c1-2-3-12-32-20-10-8-19(9-11-20)15-26-23-27-16-21(29(30)31)22(28-23)25-14-18-6-4-17(13-24)5-7-18/h8-11,16-18H,2-7,12-15,24H2,1H3,(H2,25,26,27,28)