N4-[(4-azanylcyclohexyl)methyl]-5-nitro-N2-(quinolin-4-ylmethyl)pyrimidine-2,4-diamine

Systemtic Name: N4-[(4-azanylcyclohexyl)methyl]-5-nitro-N2-(quinolin-4-ylmethyl)pyrimidine-2,4-diamine Openeye Name: N4-[(4-aminocyclohexyl)methyl]-5-nitro-N2-(4-quinolylmethyl)pyrimidine-2,4-diamine CAS Name: N4-[(4-aminocyclohexyl)methyl]-5-nitro-N2-(4-quinolinylmethyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-(quinolin-4-ylmethyl)pyrimidine-2,4-diamine Traditional Name: (4-aminocyclohexyl)methyl-[5-nitro-2-(4-quinolylmethylamino)pyrimidin-4-yl]amine Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=NC4=CC=CC=C34)N

Isomeric SMILES

C1CC(CCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=NC4=CC=CC=C34)N

InChI

InChI=1S/C21H25N7O2/c22-16-7-5-14(6-8-16)11-24-20-19(28(29)30)13-26-21(27-20)25-12-15-9-10-23-18-4-2-1-3-17(15)18/h1-4,9-10,13-14,16H,5-8,11-12,22H2,(H2,24,25,26,27)