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

Systemtic Name: N4-tert-butyl-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-6-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[5-nitro-6-(p-phenetidino)pyrimidin-4-yl]amine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3/c1-5-24-12-8-6-11(7-9-12)19-14-13(21(22)23)15(18-10-17-14)20-16(2,3)4/h6-10H,5H2,1-4H3,(H2,17,18,19,20)