N-butyl-6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-methyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butyl-6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-methyl-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-6-(4-chloro-3,5-dimethyl-phenoxy)-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-(4-chloro-3,5-dimethylphenoxy)-N-methyl-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-(4-chloro-3,5-dimethylphenoxy)-N-methyl-5-nitropyrimidin-4-amine Traditional Name: butyl-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C17H21ClN4O3 MolecularWeight: 364.82664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C(=NC=N1)OC2=CC(=C(C(=C2)C)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C)C1=C(C(=NC=N1)OC2=CC(=C(C(=C2)C)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN4O3/c1-5-6-7-21(4)16-15(22(23)24)17(20-10-19-16)25-13-8-11(2)14(18)12(3)9-13/h8-10H,5-7H2,1-4H3