N4-[(4-azanylcyclohexyl)methyl]-N2-[2-(1H-indol-3-yl)ethyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[(4-azanylcyclohexyl)methyl]-N2-[2-(1H-indol-3-yl)ethyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(4-aminocyclohexyl)methyl]-N2-[2-(1H-indol-3-yl)ethyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(4-aminocyclohexyl)methyl]-N2-[2-(1H-indol-3-yl)ethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(4-aminocyclohexyl)methyl]-2-N-[2-(1H-indol-3-yl)ethyl]-5-nitropyrimidine-2,4-diamine Traditional Name: (4-aminocyclohexyl)methyl-[2-[2-(1H-indol-3-yl)ethylamino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H27N7O2 MolecularWeight: 409.48478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCCC3=CNC4=CC=CC=C43)N

Isomeric SMILES

C1CC(CCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCCC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C21H27N7O2/c22-16-7-5-14(6-8-16)11-25-20-19(28(29)30)13-26-21(27-20)23-10-9-15-12-24-18-4-2-1-3-17(15)18/h1-4,12-14,16,24H,5-11,22H2,(H2,23,25,26,27)