6-[4-[[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-pyrimidin-2-yl]amino]methyl]phenyl]-N-[2-(2-methylphenyl)ethyl]hexanamide

Systemtic Name: 6-[4-[[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-pyrimidin-2-yl]amino]methyl]phenyl]-N-[2-(2-methylphenyl)ethyl]hexanamide Openeye Name: 6-[4-[[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-pyrimidin-2-yl]amino]methyl]phenyl]-N-[2-(o-tolyl)ethyl]hexanamide CAS Name: 6-[4-[[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-2-pyrimidinyl]amino]methyl]phenyl]-N-[2-(2-methylphenyl)ethyl]hexanamide IUPAC Name: 6-[4-[[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitropyrimidin-2-yl]amino]methyl]phenyl]-N-[2-(2-methylphenyl)ethyl]hexanamide Traditional Name: 6-[4-[[[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-pyrimidin-2-yl]amino]methyl]phenyl]-N-[2-(o-tolyl)ethyl]hexanamide Formula: C34H47N7O3 MolecularWeight: 601.78208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)CCCCCC2=CC=C(C=C2)CNC3=NC=C(C(=N3)NCC4CCC(CC4)CN)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)CCCCCC2=CC=C(C=C2)CNC3=NC=C(C(=N3)NCC4CCC(CC4)CN)[N+](=O)[O-]

InChI

InChI=1S/C34H47N7O3/c1-25-7-5-6-9-30(25)19-20-36-32(42)10-4-2-3-8-26-11-15-29(16-12-26)23-38-34-39-24-31(41(43)44)33(40-34)37-22-28-17-13-27(21-35)14-18-28/h5-7,9,11-12,15-16,24,27-28H,2-4,8,10,13-14,17-23,35H2,1H3,(H,36,42)(H2,37,38,39,40)