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

Systemtic Name: N6-tert-butyl-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-tert-butyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-tert-butyl-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-tert-butyl-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=NC=N1)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=C(C(=NC=N1)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O2/c1-20(2,3)24-18-17(26(27)28)19(23-14-22-18)25(16-11-7-8-12-21-16)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,22,23,24)