6-(4-bromanylphenoxy)-N-butyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-bromanylphenoxy)-N-butyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-bromophenoxy)-N-butyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-bromophenoxy)-N-butyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-bromophenoxy)-N-butyl-5-nitropyrimidin-4-amine Traditional Name: [6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]-butyl-amine Formula: C14H15BrN4O3 MolecularWeight: 367.1979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN4O3/c1-2-3-8-16-13-12(19(20)21)14(18-9-17-13)22-11-6-4-10(15)5-7-11/h4-7,9H,2-3,8H2,1H3,(H,16,17,18)