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

Systemtic Name: N-butyl-6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: butyl-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C16H19ClN4O3 MolecularWeight: 350.80006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)OC2=CC(=C(C(=C2)C)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)OC2=CC(=C(C(=C2)C)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19ClN4O3/c1-4-5-6-18-15-14(21(22)23)16(20-9-19-15)24-12-7-10(2)13(17)11(3)8-12/h7-9H,4-6H2,1-3H3,(H,18,19,20)