N4-tert-butyl-N6-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-tert-butyl-N6-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-benzhydryl-N4-tert-butyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-(diphenylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-benzhydryl-4-N-tert-butyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2/c1-21(2,3)25-20-18(26(27)28)19(22-14-23-20)24-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17H,1-3H3,(H2,22,23,24,25)