6-(4-bromanylphenoxy)-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-bromanylphenoxy)-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Openeye Name: 6-(4-bromophenoxy)-5-nitro-N-[2-(1-piperidyl)ethyl]pyrimidin-4-amine CAS Name: 6-(4-bromophenoxy)-5-nitro-N-[2-(1-piperidinyl)ethyl]-4-pyrimidinamine IUPAC Name: 6-(4-bromophenoxy)-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Traditional Name: [6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C17H20BrN5O3 MolecularWeight: 422.2764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCNC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H20BrN5O3/c18-13-4-6-14(7-5-13)26-17-15(23(24)25)16(20-12-21-17)19-8-11-22-9-2-1-3-10-22/h4-7,12H,1-3,8-11H2,(H,19,20,21)