N4-[(4-azanylcyclohexyl)methyl]-5-nitro-N2-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine

Systemtic Name: N4-[(4-azanylcyclohexyl)methyl]-5-nitro-N2-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine Openeye Name: N4-[(4-aminocyclohexyl)methyl]-5-nitro-N2-[2-(3-pyridyl)ethyl]pyrimidine-2,4-diamine CAS Name: N4-[(4-aminocyclohexyl)methyl]-5-nitro-N2-[2-(3-pyridinyl)ethyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine Traditional Name: (4-aminocyclohexyl)methyl-[5-nitro-2-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]amine Formula: C18H25N7O2 MolecularWeight: 371.4368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCCC3=CN=CC=C3)N

Isomeric SMILES

C1CC(CCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCCC3=CN=CC=C3)N

InChI

InChI=1S/C18H25N7O2/c19-15-5-3-14(4-6-15)11-22-17-16(25(26)27)12-23-18(24-17)21-9-7-13-2-1-8-20-10-13/h1-2,8,10,12,14-15H,3-7,9,11,19H2,(H2,21,22,23,24)