N-butan-2-yl-6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butan-2-yl-6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-N-sec-butyl-pyrimidin-4-amine CAS Name: N-butan-2-yl-6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-butan-2-yl-6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-sec-butyl-amine Formula: C16H19ClN4O3 MolecularWeight: 350.80006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NC=N1)OC2=CC(=C(C(=C2)C)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C(=NC=N1)OC2=CC(=C(C(=C2)C)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19ClN4O3/c1-5-11(4)20-15-14(21(22)23)16(19-8-18-15)24-12-6-9(2)13(17)10(3)7-12/h6-8,11H,5H2,1-4H3,(H,18,19,20)