N4-[(4-azanylcyclohexyl)methyl]-N2-[[3-(azepan-1-yl)phenyl]methyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[(4-azanylcyclohexyl)methyl]-N2-[[3-(azepan-1-yl)phenyl]methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(4-aminocyclohexyl)methyl]-N2-[[3-(azepan-1-yl)phenyl]methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(4-aminocyclohexyl)methyl]-N2-[[3-(1-azepanyl)phenyl]methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(4-aminocyclohexyl)methyl]-2-N-[[3-(azepan-1-yl)phenyl]methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: (4-aminocyclohexyl)methyl-[2-[[3-(azepan-1-yl)benzyl]amino]-5-nitro-pyrimidin-4-yl]amine Formula: C24H35N7O2 MolecularWeight: 453.5804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC(=C2)CNC3=NC=C(C(=N3)NCC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC(=C2)CNC3=NC=C(C(=N3)NCC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C24H35N7O2/c25-20-10-8-18(9-11-20)15-26-23-22(31(32)33)17-28-24(29-23)27-16-19-6-5-7-21(14-19)30-12-3-1-2-4-13-30/h5-7,14,17-18,20H,1-4,8-13,15-16,25H2,(H2,26,27,28,29)