N6-cyclohexyl-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-cyclohexyl-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-cyclohexyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-cyclohexyl-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-cyclohexyl-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O2/c29-28(30)20-21(26-18-11-5-2-6-12-18)24-16-25-22(20)27(19-13-7-8-14-23-19)15-17-9-3-1-4-10-17/h1,3-4,7-10,13-14,16,18H,2,5-6,11-12,15H2,(H,24,25,26)