N6-(4-butoxyphenyl)-N4,N4-dimethyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butoxyphenyl)-N4,N4-dimethyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-N4,N4-dimethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-N4,N4-dimethyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-4-N,4-N-dimethyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-dimethyl-amine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C)[N+](=O)[O-]

InChI

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