N-butyl-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butyl-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-(3,4-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: butyl-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3/c1-4-5-8-17-15-14(20(21)22)16(19-10-18-15)23-13-7-6-11(2)12(3)9-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18,19)