N4-tert-butyl-N6-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-tert-butyl-N6-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N6-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-6-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H20ClN5O4 MolecularWeight: 381.8141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C16H20ClN5O4/c1-16(2,3)21-15-13(22(23)24)14(18-8-19-15)20-10-6-9(17)11(25-4)7-12(10)26-5/h6-8H,1-5H3,(H2,18,19,20,21)