6-(4-bromanylphenoxy)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-bromanylphenoxy)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-bromophenoxy)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-bromophenoxy)-N-(3-methoxypropyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-bromophenoxy)-N-(3-methoxypropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C14H15BrN4O4 MolecularWeight: 383.1973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C(=NC=N1)OC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COCCCNC1=C(C(=NC=N1)OC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H15BrN4O4/c1-22-8-2-7-16-13-12(19(20)21)14(18-9-17-13)23-11-5-3-10(15)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,16,17,18)