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

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-[(4-pentylphenyl)methyl]pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-[(4-pentylphenyl)methyl]pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-[(4-pentylphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-[(4-pentylphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[2-[(4-amylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C24H36N6O2 MolecularWeight: 440.58164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CNC2=NC=C(C(=N2)NCC3CCC(CC3)CN)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CNC2=NC=C(C(=N2)NCC3CCC(CC3)CN)[N+](=O)[O-]

InChI

InChI=1S/C24H36N6O2/c1-2-3-4-5-18-6-10-21(11-7-18)16-27-24-28-17-22(30(31)32)23(29-24)26-15-20-12-8-19(14-25)9-13-20/h6-7,10-11,17,19-20H,2-5,8-9,12-16,25H2,1H3,(H2,26,27,28,29)